error in parallel installation of vasp on ubuntu

Message

Isha · #1 Post by **Isha** » Thu Mar 10, 2011 4:37 am

Hi
I am trying to vasp in parallel on two nodes using mpif90 compiler. but it shows the following error.

./preprocess <fft3dlib.F | /usr/bin/cpp -P -C -traditional >fft3dlib.f90 -DMPI -DHOST=\"LinuxIFC\" -DIFC -Dkind8 -DNGZhalf -DCACHE_SIZE=16000 -DPGF90 -Davoidalloc -DMPI_BLOCK=8000 -DRPROMU_DGEMV -DRACCMU_DGEMV
/usr/bin/mpif90 -FR -lowercase -O1 -tpp7 -xW -unroll0 -w95 -vec_report3 -c fft3dlib.f90
gfortran: unrecognized option '-tpp7'
gfortran: unrecognized option '-w95'
gfortran: unrecognized option '-vec_report3'
gfortran: language W not recognized
gfortran: language W not recognized
gfortran: fft3dlib.f90: linker input file unused because linking not done
rm -f vasp.intel.band
/usr/bin/mpif90 -o vasp.intel.band main.o base.o mpi.o smart_allocate.o xml.o constant.o jacobi.o main_mpi.o scala.o asa.o lattice.o poscar.o ini.o setex.o radial.o pseudo.o mgrid.o mkpoints.o wave.o wave_mpi.o symmetry.o symlib.o lattlib.o random.o nonl.o nonlr.o dfast.o choleski2.o mix.o charge.o xcgrad.o xcspin.o potex1.o potex2.o metagga.o constrmag.o pot.o cl_shift.o force.o dos.o elf.o tet.o hamil.o steep.o chain.o dyna.o relativistic.o LDApU.o sphpro.o paw.o us.o ebs.o wavpre.o wavpre_noio.o broyden.o dynbr.o rmm-diis.o reader.o writer.o tutor.o xml_writer.o brent.o stufak.o fileio.o opergrid.o stepver.o dipol.o xclib.o chgloc.o subrot.o optreal.o davidson.o edtest.o electron.o shm.o pardens.o paircorrection.o optics.o constr_cell_relax.o stm.o finite_diff.o elpol.o setlocalpp.o aedens.o fftmpiw.o fftmpi_map.o fft3dlib.o /usr/local/lib/libfftw3.a -L../vasp.4.lib -ldmy ../vasp.4.lib/linpack_double.o ../vasp.4.lib/lapack_double.o /opt/intel/mkl/10.2.6.038/lib/em64t/libmkl_scalapack_lp64.a /opt/intel/mkl/10.2.6.038/lib/em64t/libmkl_blacs_intelmpi_lp64.a /home/pooja/VASP/GotoBLAS/libgoto_katmai-r1.15.so
fft3dlib.o: In function

$ftrigc_.': fft3dlib.f90:(.text+0x3d14): undefined reference to$ __libm_sse2_sincos'
fft3dlib.o: In function

$ftrigr_.': fft3dlib.f90:(.text+0x3d8d): undefined reference to$ __libm_sse2_sincos'
fft3dlib.f90:(.text+0x3df4): undefined reference to

$__libm_sse2_sincos' fft3dlib.o: In function$ fpassm_.':
fft3dlib.f90:(.text+0x4afe): undefined reference to

$for_write_seq_lis' fft3dlib.f90:(.text+0x4b14): undefined reference to$ for_stop_core'
fft3dlib.o: In function

$ipassm_.': fft3dlib.f90:(.text+0x8bcf): undefined reference to$ for_write_seq_lis'
fft3dlib.f90:(.text+0x8be5): undefined reference to

$for_stop_core' ../vasp.4.lib/libdmy.a(diolib.o): In function$ wforce_':
diolib.f:(.text+0x84): undefined reference to

$for_inquire' diolib.f:(.text+0xea): undefined reference to$ for_inquire'
diolib.f:(.text+0x189): undefined reference to

$for_inquire' diolib.f:(.text+0x1f1): undefined reference to$ for_inquire'
diolib.f:(.text+0x251): undefined reference to

$for_cpstr' diolib.f:(.text+0x29b): undefined reference to$ for_inquire'
diolib.f:(.text+0x2d6): undefined reference to

$for_close' diolib.f:(.text+0x320): undefined reference to$ for_cpstr'
diolib.f:(.text+0x3b6): undefined reference to

$for_open' diolib.f:(.text+0x454): undefined reference to$ for_open'
diolib.f:(.text+0x496): undefined reference to

$for_cpstr' diolib.f:(.text+0x4f5): undefined reference to$ for_open'
diolib.f:(.text+0x560): undefined reference to

$for_open' ../vasp.4.lib/libdmy.a(diolib.o): In function$ reopen_':
diolib.f:(.text+0x5d4): undefined reference to

$for_rewind' diolib.f:(.text+0x656): undefined reference to$ for_inquire'
diolib.f:(.text+0x6bc): undefined reference to

$for_inquire' diolib.f:(.text+0x75b): undefined reference to$ for_inquire'
diolib.f:(.text+0x7c3): undefined reference to

$for_inquire' diolib.f:(.text+0x823): undefined reference to$ for_cpstr'
diolib.f:(.text+0x86d): undefined reference to

$for_inquire' diolib.f:(.text+0x8a8): undefined reference to$ for_close'
diolib.f:(.text+0x8f2): undefined reference to

$for_cpstr' diolib.f:(.text+0x988): undefined reference to$ for_open'
diolib.f:(.text+0xa0f): undefined reference to

$for_open' diolib.f:(.text+0xa51): undefined reference to$ for_cpstr'
diolib.f:(.text+0xab0): undefined reference to

$for_open' diolib.f:(.text+0xb07): undefined reference to$ for_open'
../vasp.4.lib/libdmy.a(diolib.o): In function

$clean_': diolib.f:(.text+0xb5d): undefined reference to$ for_inquire'
diolib.f:(.text+0xbb4): undefined reference to

$for_cpstr' diolib.f:(.text+0xc26): undefined reference to$ for_rewind'
diolib.f:(.text+0xca8): undefined reference to

$for_inquire' diolib.f:(.text+0xd0e): undefined reference to$ for_inquire'
diolib.f:(.text+0xdad): undefined reference to

$for_inquire' diolib.f:(.text+0xe15): undefined reference to$ for_inquire'
diolib.f:(.text+0xe6c): undefined reference to

$for_cpstr' diolib.f:(.text+0xeb6): undefined reference to$ for_inquire'
diolib.f:(.text+0xf04): undefined reference to

$for_close' diolib.f:(.text+0xf4e): undefined reference to$ for_cpstr'
diolib.f:(.text+0xfe4): undefined reference to

$for_open' diolib.f:(.text+0x106e): undefined reference to$ for_open'
diolib.f:(.text+0x10b0): undefined reference to

$for_cpstr' diolib.f:(.text+0x1118): undefined reference to$ for_open'
diolib.f:(.text+0x116f): undefined reference to

$for_open' ../vasp.4.lib/libdmy.a(diolib.o): In function$ append_':
diolib.f:(.text+0x11e6): undefined reference to

$for_inquire' diolib.f:(.text+0x1247): undefined reference to$ for_read_seq_fmt'
diolib.f:(.text+0x1290): undefined reference to

$for_backspace' ../vasp.4.lib/libdmy.a(diolib.o): In function$ erase_':
diolib.f:(.text+0x1310): undefined reference to

$for_open' diolib.f:(.text+0x136c): undefined reference to$ for_close'
../vasp.4.lib/libdmy.a(diolib.o): In function

$nxtfru_': diolib.f:(.text+0x1404): undefined reference to$ for_inquire'
../vasp.4.lib/libdmy.a(diolib.o): In function

$rdline_': diolib.f:(.text+0x1466): undefined reference to$ for_cpystr'
diolib.f:(.text+0x14f0): undefined reference to

$for_open' diolib.f:(.text+0x1573): undefined reference to$ for_read_seq_fmt'
diolib.f:(.text+0x15f6): undefined reference to

$for_read_seq_fmt' diolib.f:(.text+0x1647): undefined reference to$ for_close'
../vasp.4.lib/libdmy.a(diolib.o): In function

$rdpos_': diolib.f:(.text+0x16bc): undefined reference to$ for_inquire'
diolib.f:(.text+0x171d): undefined reference to

$for_open' diolib.f:(.text+0x1762): undefined reference to$ for_rewind'
diolib.f:(.text+0x17a5): undefined reference to

$for_cpystr' diolib.f:(.text+0x182c): undefined reference to$ for_read_seq_fmt'
diolib.f:(.text+0x18bf): undefined reference to

$for_f90_index' diolib.f:(.text+0x1910): undefined reference to$ for_close'
diolib.f:(.text+0x195f): undefined reference to

$for_close' ../vasp.4.lib/libdmy.a(dlexlib.o): In function$ length_':
dlexlib.f:(.text+0x8b): undefined reference to

$for_cpstr' dlexlib.f:(.text+0x10e): undefined reference to$ for_cpstr'
dlexlib.f:(.text+0x1ac): undefined reference to

$for_cpstr' dlexlib.f:(.text+0x24a): undefined reference to$ for_cpstr'
dlexlib.f:(.text+0x2d3): undefined reference to

$for_cpstr' ../vasp.4.lib/libdmy.a(dlexlib.o):dlexlib.f:(.text+0x353): more undefined references to$ for_cpstr' follow
../vasp.4.lib/libdmy.a(dlexlib.o): In function

$nitems_': dlexlib.f:(.text+0xb48): undefined reference to$ for_concat'
dlexlib.f:(.text+0xbd6): undefined reference to

$for_read_int_fmt' dlexlib.f:(.text+0xc44): undefined reference to$ for_cpystr'
dlexlib.f:(.text+0xd12): undefined reference to

$for_cpystr' dlexlib.f:(.text+0xdd8): undefined reference to$ for_concat'
dlexlib.f:(.text+0xe66): undefined reference to

$for_write_seq_fmt' dlexlib.f:(.text+0xefe): undefined reference to$ for_concat'
dlexlib.f:(.text+0xf5e): undefined reference to

$for_write_seq_fmt' dlexlib.f:(.text+0x10cb): undefined reference to$ for_concat'
dlexlib.f:(.text+0x114e): undefined reference to

$for_write_seq_fmt' dlexlib.f:(.text+0x11e6): undefined reference to$ for_concat'
dlexlib.f:(.text+0x1246): undefined reference to

$for_write_seq_fmt' dlexlib.f:(.text+0x12bd): undefined reference to$ for_cpystr'
../vasp.4.lib/libdmy.a(dlexlib.o): In function

$subwrd_': dlexlib.f:(.text+0x1469): undefined reference to$ for_cpystr'
dlexlib.f:(.text+0x14e4): undefined reference to

$for_write_seq_fmt' dlexlib.f:(.text+0x1573): undefined reference to$ for_write_seq_fmt'
dlexlib.f:(.text+0x15d3): undefined reference to

$for_write_seq_fmt' dlexlib.f:(.text+0x1605): undefined reference to$ for_write_seq_fmt_xmit'
dlexlib.f:(.text+0x1636): undefined reference to

$for_write_seq_fmt_xmit' dlexlib.f:(.text+0x165f): undefined reference to$ for_write_seq_fmt_xmit'
dlexlib.f:(.text+0x1690): undefined reference to

$for_write_seq_fmt_xmit' dlexlib.f:(.text+0x16eb): undefined reference to$ for_write_seq_fmt'
dlexlib.f:(.text+0x1746): undefined reference to

$for_write_seq_fmt' dlexlib.f:(.text+0x1785): undefined reference to$ for_cpystr'
../vasp.4.lib/libdmy.a(dlexlib.o): In function

$strip_': dlexlib.f:(.text+0x18c9): undefined reference to$ for_cpystr'
dlexlib.f:(.text+0x194a): undefined reference to

$for_cpystr' dlexlib.f:(.text+0x1b15): undefined reference to$ for_concat'
dlexlib.f:(.text+0x1b87): undefined reference to

$for_cpystr' dlexlib.f:(.text+0x1bff): undefined reference to$ for_cpystr'
dlexlib.f:(.text+0x1d2b): undefined reference to

$for_cpstr' dlexlib.f:(.text+0x1e26): undefined reference to$ for_concat'
dlexlib.f:(.text+0x1e8f): undefined reference to

$for_cpystr' dlexlib.f:(.text+0x1f07): undefined reference to$ for_cpystr'
dlexlib.f:(.text+0x1fce): undefined reference to

$for_cpystr' ../vasp.4.lib/libdmy.a(dlexlib.o): In function$ parse_':
dlexlib.f:(.text+0x2176): undefined reference to

$for_cpystr' dlexlib.f:(.text+0x21b3): undefined reference to$ for_cpystr'
dlexlib.f:(.text+0x2264): undefined reference to

$for_f90_index' dlexlib.f:(.text+0x22ed): undefined reference to$ for_cpystr'
dlexlib.f:(.text+0x236b): undefined reference to

$for_cpystr' dlexlib.f:(.text+0x23ca): undefined reference to$ for_cpystr'
dlexlib.f:(.text+0x2448): undefined reference to

$for_cpystr' dlexlib.f:(.text+0x24a7): undefined reference to$ for_cpystr'
../vasp.4.lib/libdmy.a(dlexlib.o):dlexlib.f:(.text+0x24e4): more undefined references to

$for_cpystr' follow ../vasp.4.lib/libdmy.a(dlexlib.o): In function$ noccur_':
dlexlib.f:(.text+0x2674): undefined reference to

$for_f90_index' ../vasp.4.lib/libdmy.a(dlexlib.o): In function$ indexn_':
dlexlib.f:(.text+0x2777): undefined reference to

$for_f90_index' ../vasp.4.lib/libdmy.a(dlexlib.o): In function$ replac_':
dlexlib.f:(.text+0x2ba9): undefined reference to

$for_concat' dlexlib.f:(.text+0x2caa): undefined reference to$ for_concat'
dlexlib.f:(.text+0x2d88): undefined reference to

$for_concat' dlexlib.f:(.text+0x2e23): undefined reference to$ for_open'
dlexlib.f:(.text+0x2ea9): undefined reference to

$for_write_seq_fmt' dlexlib.f:(.text+0x2ef5): undefined reference to$ for_write_seq_fmt_xmit'
dlexlib.f:(.text+0x2f5d): undefined reference to

$for_write_seq_fmt_xmit' dlexlib.f:(.text+0x3041): undefined reference to$ for_write_seq_fmt'
dlexlib.f:(.text+0x30bc): undefined reference to

$for_write_seq_fmt_xmit' dlexlib.f:(.text+0x314e): undefined reference to$ for_write_seq_fmt'
dlexlib.f:(.text+0x31a0): undefined reference to

$for_write_seq_fmt_xmit' dlexlib.f:(.text+0x31d5): undefined reference to$ for_rewind'
dlexlib.f:(.text+0x3236): undefined reference to

$for_read_seq_fmt' dlexlib.f:(.text+0x3275): undefined reference to$ for_close'
dlexlib.f:(.text+0x32fd): undefined reference to

$for_write_seq_fmt' dlexlib.f:(.text+0x33a1): undefined reference to$ for_write_seq_fmt'
dlexlib.f:(.text+0x344d): undefined reference to

$for_write_seq_fmt' dlexlib.f:(.text+0x34b9): undefined reference to$ for_write_seq_fmt'
dlexlib.f:(.text+0x34ea): undefined reference to

$for_write_seq_fmt_xmit' dlexlib.f:(.text+0x3524): undefined reference to$ for_write_seq_fmt_xmit'
dlexlib.f:(.text+0x3553): undefined reference to

$for_write_seq_fmt_xmit' dlexlib.f:(.text+0x358d): undefined reference to$ for_write_seq_fmt_xmit'
dlexlib.f:(.text+0x35f1): undefined reference to

$for_write_seq_fmt' dlexlib.f:(.text+0x3655): undefined reference to$ for_write_seq_fmt'
dlexlib.f:(.text+0x375a): undefined reference to

$for_concat' dlexlib.f:(.text+0x37de): undefined reference to$ for_cpystr'
dlexlib.f:(.text+0x3869): undefined reference to

$for_cpystr' ../vasp.4.lib/libdmy.a(dlexlib.o): In function$ chktyp_':
dlexlib.f:(.text+0x3907): undefined reference to

$for_cpystr' dlexlib.f:(.text+0x3959): undefined reference to$ for_cpystr'
dlexlib.f:(.text+0x3dce): undefined reference to

$for_concat' dlexlib.f:(.text+0x3e47): undefined reference to$ for_cpstr'
dlexlib.f:(.text+0x3e82): undefined reference to

$for_cpstr' dlexlib.f:(.text+0x3f56): undefined reference to$ for_write_int_fmt'
dlexlib.f:(.text+0x3f7f): undefined reference to

$for_write_int_fmt_xmit' dlexlib.f:(.text+0x5abd): undefined reference to$ for_write_int_fmt'
dlexlib.f:(.text+0x5ae6): undefined reference to

$for_write_int_fmt_xmit' ../vasp.4.lib/libdmy.a(dlexlib.o): In function$ dattyp_':
dlexlib.f:(.text+0x5e68): undefined reference to

$for_write_int_fmt' dlexlib.f:(.text+0x5ea9): undefined reference to$ for_write_int_fmt_xmit'
../vasp.4.lib/libdmy.a(dlexlib.o): In function

$chkint_': dlexlib.f:(.text+0x5f2c): undefined reference to$ for_cpystr'
dlexlib.f:(.text+0x5f7a): undefined reference to

$for_cpystr' dlexlib.f:(.text+0x6327): undefined reference to$ for_write_int_fmt'
dlexlib.f:(.text+0x6350): undefined reference to

$for_write_int_fmt_xmit' dlexlib.f:(.text+0x6381): undefined reference to$ for_write_int_fmt_xmit'
dlexlib.f:(.text+0x6402): undefined reference to

$for_concat' dlexlib.f:(.text+0x6497): undefined reference to$ for_read_int_fmt'
dlexlib.f:(.text+0x6548): undefined reference to

$for_write_int_fmt' dlexlib.f:(.text+0x6571): undefined reference to$ for_write_int_fmt_xmit'
dlexlib.f:(.text+0x6688): undefined reference to

$for_concat' dlexlib.f:(.text+0x6726): undefined reference to$ for_read_int_fmt'
dlexlib.f:(.text+0x67e9): undefined reference to

$for_cpstr' dlexlib.f:(.text+0x68af): undefined reference to$ for_write_int_fmt'
dlexlib.f:(.text+0x68df): undefined reference to

$for_write_int_fmt_xmit' dlexlib.f:(.text+0x6919): undefined reference to$ for_write_int_fmt_xmit'
dlexlib.f:(.text+0x6960): undefined reference to

$f_lanint_val' dlexlib.f:(.text+0x6a0c): undefined reference to$ for_cpystr'
dlexlib.f:(.text+0x6c6f): undefined reference to

$for_cpystr' dlexlib.f:(.text+0x6d05): undefined reference to$ for_cpystr'
dlexlib.f:(.text+0x6dd2): undefined reference to

$for_read_int_fmt' dlexlib.f:(.text+0x6ea3): undefined reference to$ for_cpstr'
dlexlib.f:(.text+0x6fdf): undefined reference to

$for_write_int_fmt' dlexlib.f:(.text+0x700e): undefined reference to$ for_write_int_fmt_xmit'
dlexlib.f:(.text+0x7048): undefined reference to

$for_write_int_fmt_xmit' dlexlib.f:(.text+0x707a): undefined reference to$ for_write_int_fmt_xmit'
dlexlib.f:(.text+0x70b4): undefined reference to

$for_write_int_fmt_xmit' ../vasp.4.lib/libdmy.a(dlexlib.o): In function$ chkflt_':
dlexlib.f:(.text+0x7157): undefined reference to

$for_cpystr' dlexlib.f:(.text+0x71a5): undefined reference to$ for_cpystr'
dlexlib.f:(.text+0x7440): undefined reference to

$for_write_int_fmt' dlexlib.f:(.text+0x7469): undefined reference to$ for_write_int_fmt_xmit'
dlexlib.f:(.text+0x749a): undefined reference to

$for_write_int_fmt_xmit' dlexlib.f:(.text+0x74c4): undefined reference to$ for_write_int_fmt_xmit'
dlexlib.f:(.text+0x7729): undefined reference to

$for_write_int_fmt' dlexlib.f:(.text+0x7752): undefined reference to$ for_write_int_fmt_xmit'
dlexlib.f:(.text+0x7783): undefined reference to

$for_write_int_fmt_xmit' dlexlib.f:(.text+0x77b1): undefined reference to$ for_write_int_fmt_xmit'
dlexlib.f:(.text+0x789f): undefined reference to

$for_write_int_fmt' dlexlib.f:(.text+0x78c8): undefined reference to$ for_write_int_fmt_xmit'
dlexlib.f:(.text+0x78f9): undefined reference to

$for_write_int_fmt_xmit' dlexlib.f:(.text+0x7923): undefined reference to$ for_write_int_fmt_xmit'
../vasp.4.lib/libdmy.a(dlexlib.o): In function

$chkedq_': dlexlib.f:(.text+0x7b7b): undefined reference to$ for_cpystr'
dlexlib.f:(.text+0x7c38): undefined reference to

$for_cpystr' dlexlib.f:(.text+0x7f23): undefined reference to$ for_cpystr'
dlexlib.f:(.text+0x7fc3): undefined reference to

$for_cpystr' dlexlib.f:(.text+0x8775): undefined reference to$ for_f90_index'
dlexlib.f:(.text+0x87e8): undefined reference to

$for_write_int_fmt' dlexlib.f:(.text+0x8811): undefined reference to$ for_write_int_fmt_xmit'
dlexlib.f:(.text+0x8842): undefined reference to

$for_write_int_fmt_xmit' dlexlib.f:(.text+0x886b): undefined reference to$ for_write_int_fmt_xmit'
../vasp.4.lib/libdmy.a(drdatab.o): In function

$rdatab_': drdatab.f:(.text+0x119): undefined reference to$ for_cpystr'
drdatab.f:(.text+0x1d6): undefined reference to

$for_open' drdatab.f:(.text+0x222): undefined reference to$ for_rewind'
drdatab.f:(.text+0x27b): undefined reference to

$for_close' drdatab.f:(.text+0x2d4): undefined reference to$ for_cpystr'
drdatab.f:(.text+0x37b): undefined reference to

$for_read_seq_fmt' drdatab.f:(.text+0x427): undefined reference to$ for_concat'
drdatab.f:(.text+0x541): undefined reference to

$for_cpystr' drdatab.f:(.text+0x5c6): undefined reference to$ for_cpystr'
drdatab.f:(.text+0x693): undefined reference to

$for_cpstr' drdatab.f:(.text+0x71c): undefined reference to$ for_cpystr'
drdatab.f:(.text+0x79f): undefined reference to

$for_cpystr' drdatab.f:(.text+0x7d7): undefined reference to$ for_cpystr'
drdatab.f:(.text+0x836): undefined reference to

$for_cpystr' drdatab.f:(.text+0x8b0): undefined reference to$ for_cpystr'
drdatab.f:(.text+0x979): undefined reference to

$for_cpstr' drdatab.f:(.text+0xa19): undefined reference to$ for_cpystr'
drdatab.f:(.text+0xabc): undefined reference to

$for_cpystr' drdatab.f:(.text+0xafe): undefined reference to$ for_cpystr'
drdatab.f:(.text+0xb79): undefined reference to

$for_cpystr' drdatab.f:(.text+0xc5c): undefined reference to$ for_f90_index'
drdatab.f:(.text+0xd15): undefined reference to

$for_cpstr' drdatab.f:(.text+0xedf): undefined reference to$ for_concat'
drdatab.f:(.text+0xf8d): undefined reference to

$for_concat' drdatab.f:(.text+0x103b): undefined reference to$ for_concat'
drdatab.f:(.text+0x11b0): undefined reference to

$for_cpystr' drdatab.f:(.text+0x12d3): undefined reference to$ for_read_int_lis'
drdatab.f:(.text+0x1354): undefined reference to

$for_read_int_lis_xmit' drdatab.f:(.text+0x13c4): undefined reference to$ for_read_int_lis_xmit'
drdatab.f:(.text+0x1406): undefined reference to

$for_read_int_lis_xmit' drdatab.f:(.text+0x14a9): undefined reference to$ for_read_int_lis'
drdatab.f:(.text+0x152a): undefined reference to

$for_read_int_lis_xmit' drdatab.f:(.text+0x159a): undefined reference to$ for_read_int_lis_xmit'
drdatab.f:(.text+0x15dc): undefined reference to

$for_read_int_lis_xmit' drdatab.f:(.text+0x167f): undefined reference to$ for_read_int_lis'
drdatab.f:(.text+0x1703): undefined reference to

$for_read_int_lis_xmit' drdatab.f:(.text+0x1776): undefined reference to$ for_read_int_lis_xmit'
drdatab.f:(.text+0x17b8): undefined reference to

$for_read_int_lis_xmit' drdatab.f:(.text+0x185b): undefined reference to$ for_read_int_lis'
drdatab.f:(.text+0x18dc): undefined reference to

$for_read_int_lis_xmit' drdatab.f:(.text+0x194c): undefined reference to$ for_read_int_lis_xmit'
drdatab.f:(.text+0x198e): undefined reference to

$for_read_int_lis_xmit' drdatab.f:(.text+0x1a58): undefined reference to$ for_open'
drdatab.f:(.text+0x1ade): undefined reference to

$for_write_seq_fmt' drdatab.f:(.text+0x1b16): undefined reference to$ for_rewind'
drdatab.f:(.text+0x1b73): undefined reference to

$for_read_seq_lis' drdatab.f:(.text+0x1bf4): undefined reference to$ for_read_seq_lis_xmit'
drdatab.f:(.text+0x1c64): undefined reference to

$for_read_seq_lis_xmit' drdatab.f:(.text+0x1ca6): undefined reference to$ for_read_seq_lis_xmit'
drdatab.f:(.text+0x1d37): undefined reference to

$for_read_seq_lis' drdatab.f:(.text+0x1db8): undefined reference to$ for_read_seq_lis_xmit'
drdatab.f:(.text+0x1e28): undefined reference to

$for_read_seq_lis_xmit' drdatab.f:(.text+0x1e6a): undefined reference to$ for_read_seq_lis_xmit'
drdatab.f:(.text+0x1efb): undefined reference to

$for_read_seq_lis' drdatab.f:(.text+0x1f7f): undefined reference to$ for_read_seq_lis_xmit'
drdatab.f:(.text+0x1ff2): undefined reference to

$for_read_seq_lis_xmit' drdatab.f:(.text+0x2034): undefined reference to$ for_read_seq_lis_xmit'
drdatab.f:(.text+0x20c5): undefined reference to

$for_read_seq_lis' drdatab.f:(.text+0x2146): undefined reference to$ for_read_seq_lis_xmit'
drdatab.f:(.text+0x21b6): undefined reference to

$for_read_seq_lis_xmit' drdatab.f:(.text+0x21f8): undefined reference to$ for_read_seq_lis_xmit'
drdatab.f:(.text+0x2261): undefined reference to

$for_close' drdatab.f:(.text+0x22e3): undefined reference to$ for_close'
drdatab.f:(.text+0x233f): undefined reference to

$for_close' ../vasp.4.lib/lapack_double.o: In function$ xerbla_':
lapack_double.f:(.text+0x50): undefined reference to

$for_write_seq_fmt' lapack_double.f:(.text+0x78): undefined reference to$ for_write_seq_fmt_xmit'
lapack_double.f:(.text+0xa8): undefined reference to

$for_stop_core' ../vasp.4.lib/lapack_double.o: In function$ dlartg_':
lapack_double.f:(.text+0x12c81): undefined reference to

$__powr8i4' ../vasp.4.lib/lapack_double.o: In function$ dormql_':
lapack_double.f:(.text+0x224fa): undefined reference to

$for_concat' lapack_double.f:(.text+0x226e8): undefined reference to$ for_concat'
../vasp.4.lib/lapack_double.o: In function

$dormqr_': lapack_double.f:(.text+0x22d40): undefined reference to$ for_concat'
lapack_double.f:(.text+0x22f2e): undefined reference to

$for_concat' ../vasp.4.lib/lapack_double.o: In function$ zunmql_':
lapack_double.f:(.text+0x2ae8a): undefined reference to

$for_concat' ../vasp.4.lib/lapack_double.o:lapack_double.f:(.text+0x2b0c1): more undefined references to$ for_concat' follow
../vasp.4.lib/lapack_double.o: In function

$dggbal_': lapack_double.f:(.text+0x36270): undefined reference to$ __powr8i4'
lapack_double.f:(.text+0x364c3): undefined reference to

$__powr8i4' ../vasp.4.lib/lapack_double.o: In function$ zunmtr_':
lapack_double.f:(.text+0x44fd6): undefined reference to

$for_concat' lapack_double.f:(.text+0x450dc): undefined reference to$ for_concat'
lapack_double.f:(.text+0x451ed): undefined reference to

$for_concat' lapack_double.f:(.text+0x452f3): undefined reference to$ for_concat'
../vasp.4.lib/lapack_double.o: In function

$ztrtri_': lapack_double.f:(.text+0x4633c): undefined reference to$ for_concat'
../vasp.4.lib/lapack_double.o:lapack_double.f:(.text+0x48aad): more undefined references to

$for_concat' follow ../vasp.4.lib/lapack_double.o: In function$ dlamch_':
lapack_double.f:(.text+0x4fa7c): undefined reference to

$__powr8i4' lapack_double.f:(.text+0x4fac8): undefined reference to$ __powr8i4'
../vasp.4.lib/lapack_double.o: In function

$dlamc2_': lapack_double.f:(.text+0x50484): undefined reference to$ __powr8i4'
lapack_double.f:(.text+0x50653): undefined reference to

$__powr8i4' lapack_double.f:(.text+0x50c07): undefined reference to$ for_write_seq_fmt'
../vasp.4.lib/lapack_double.o: In function

$ilaenv_': lapack_double.f:(.text+0x514a7): undefined reference to$ for_cpystr'
lapack_double.f:(.text+0x5191d): undefined reference to

$for_cpstr' lapack_double.f:(.text+0x51962): undefined reference to$ for_cpstr'
lapack_double.f:(.text+0x519c2): undefined reference to

$for_cpstr' lapack_double.f:(.text+0x51a02): undefined reference to$ for_cpstr'
lapack_double.f:(.text+0x51a42): undefined reference to

$for_cpstr' ../vasp.4.lib/lapack_double.o:lapack_double.f:(.text+0x51a82): more undefined references to$ for_cpstr' follow
collect2: ld returned 1 exit status
make: *** [vasp] Error 1
My Makefile is as follows-.............

# all CPP processed fortran files have the extension .f90
SUFFIX=.f90

#-----------------------------------------------------------------------
# fortran compiler and linker
#-----------------------------------------------------------------------
#FC=ifort
# fortran linker
FCL=$(FC)

#-----------------------------------------------------------------------
# whereis CPP ?? (I need CPP, can't use gcc with proper options)
# that's the location of gcc for SUSE 5.3
#
# CPP_ = /usr/lib/gcc-lib/i486-linux/2.7.2/cpp -P -C
#
# that's probably the right line for some Red Hat distribution:
#
# CPP_ = /usr/lib/gcc-lib/i386-redhat-linux/2.7.2.3/cpp -P -C
#
# SUSE X.X, maybe some Red Hat distributions:

CPP_ = ./preprocess <$*.F | /usr/bin/cpp -P -C -traditional >$*$(SUFFIX)

#-----------------------------------------------------------------------
# possible options for CPP:
# NGXhalf charge density reduced in X direction
# wNGXhalf gamma point only reduced in X direction
# avoidalloc avoid ALLOCATE if possible
# IFC work around some IFC bugs
# CACHE_SIZE 1000 for PII,PIII, 5000 for Athlon, 8000-12000 P4
# RPROMU_DGEMV use DGEMV instead of DGEMM in RPRO (depends on used BLAS)
# RACCMU_DGEMV use DGEMV instead of DGEMM in RACC (depends on used BLAS)
#-----------------------------------------------------------------------

#CPP = $(CPP_) -DHOST=\"LinuxIFC\" \
# -Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc \
# -DRPROMU_DGEMV -DRACCMU_DGEMV

#-----------------------------------------------------------------------
# general fortran flags (there must a trailing blank on this line)
#-----------------------------------------------------------------------

#FFLAGS= -FR -lower_case

FFLAGS = -FR -lowercase

#-----------------------------------------------------------------------
# optimization
# we have tested whether higher optimisation improves performance
# -axK SSE1 optimization, but also generate code executable on all mach.
# xK improves performance somewhat on XP, and a is required in order
# to run the code on older Athlons as well
# -xW SSE2 optimization
# -axW SSE2 optimization, but also generate code executable on all mach.
# -tpp6 P3 optimization
# -tpp7 P4 optimization
#-----------------------------------------------------------------------

OFLAG=-O3

OFLAG_HIGH = $(OFLAG)
OBJ_HIGH =

OBJ_NOOPT =
DEBUG = -FR -O0
INLINE = $(OFLAG)

#-----------------------------------------------------------------------
# the following lines specify the position of BLAS and LAPACK
# on P4, VASP works fastest with the libgoto library
# so that's what I recommend
#-----------------------------------------------------------------------

# Atlas based libraries
#ATLASHOME= $(HOME)/archives/BLAS_OPT/ATLAS/lib/Linux_P4SSE2/
#BLAS= -L$(ATLASHOME) -lf77blas -latlas

# use specific libraries (default library path might point to other libraries)
BLAS= $(ATLASHOME)/libf77blas.a $(ATLASHOME)/libatlas.a

# use the mkl Intel libraries for p4 (www.intel.com)
# mkl.5.1
# set -DRPROMU_DGEMV -DRACCMU_DGEMV in the CPP lines
#BLAS=-L/opt/intel/mkl/lib/32 -lmkl_p4 -lpthread

# mkl.5.2 requires also to -lguide library
# set -DRPROMU_DGEMV -DRACCMU_DGEMV in the CPP lines
#BLAS=-L/opt/intel/mkl/lib/32 -lmkl_p4 -lguide -lpthread
BLAS= /opt/intel/mkl/10.2.6.038/lib/32 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lpthread
#BLAS=/opt/GotoBLAS2/libgoto2_prescottp-r1.02.so
# even faster Kazushige Goto's BLAS
# http://www.cs.utexas.edu/users/kgoto/signup_first.html
BLAS= /home/pooja/VASP/GotoBLAS/libgoto_katmai-r1.15.so

# LAPACK, simplest use vasp.4.lib/lapack_double
LAPACK= ../vasp.4.lib/lapack_double.o
#LAPACK=-L/opt/intel/mkl/10.2.6.038/lib/32 -lmkl_lapack

# use atlas optimized part of lapack
#LAPACK= ../vasp.4.lib/lapack_atlas.o -llapack -lcblas

# use the mkl Intel lapack
#LAPACK= -lmkl_lapack

#-----------------------------------------------------------------------

#LIB = -L../vasp.4.lib -ldmy \
# ../vasp.4.lib/linpack_double.o $(LAPACK) \
# $(BLAS)

# options for linking (for compiler version 6.X, 7.1) nothing is required
LINK =
# compiler version 7.0 generates some vector statments which are located
# in the svml library, add the LIBPATH and the library (just in case)
#LINK = /opt/intel/Compiler/11.1/073/lib/ia32/libsvml.a

#-----------------------------------------------------------------------
# fft libraries:
# VASP.4.6 can use fftw.3.0.X (http://www.fftw.org)
# since this version is faster on P4 machines, we recommend to use it
#-----------------------------------------------------------------------

#FT3D =fft3dfurth.o fft3dlib.o /opt/intel/mkl/10.2.6.038/lib/32/libmkl_intel_\
#thread.a

#FFT3D = fftw3d.o fft3dlib.o /opt/libs/fftw-3.0.1/lib/libfftw3.a
#FFT3D = fftw3d.o fft3dlib.o /opt/libs/fftw-3.0.1/lib/libfftw3.a
#FFT3D= fftmpiw.o fftmpi_map.o fft3dlib.o /opt/intel/Compiler/11.0/069/mkl/lib/em64t/libfftw3xf_intel.a
#FT3D= fftmpiw.o fftmpi_map.o fft3dlib.o /usr/local/lib/libfftw3.a

#=======================================================================
# MPI section, uncomment the following lines
#
# one comment for users of mpich or lam:
# You must *not* compile mpi with g77/f77, because f77/g77
# appends *two* underscores to symbols that contain already an
# underscore (i.e. MPI_SEND becomes mpi_send__). The pgf90/ifc
# compilers however append only one underscore.
# Precompiled mpi version will also not work !!!
#
# We found that mpich.1.2.1 and lam-6.5.X to lam-7.0.4 are stable
# mpich.1.2.1 was configured with
# ./configure -prefix=/usr/local/mpich_nodvdbg -fc="pgf77 -Mx,119,0x200000" \
# -f90="pgf90 " \
# --without-romio --without-mpe -opt=-O \
#
# lam was configured with the line
# ./configure -prefix /opt/libs/lam-7.0.4 --with-cflags=-O -with-fc=ifc \
# --with-f77flags=-O --without-romio
#
# please note that you might be able to use a lam or mpich version
# compiled with f77/g77, but then you need to add the following
# options: -Msecond_underscore (compilation) and -g77libs (linking)
#
# !!! Please do not send me any queries on how to install MPI, I will
# certainly not answer them !!!!
#=======================================================================
#-----------------------------------------------------------------------
# fortran linker for mpi: if you use LAM and compiled it with the options
# suggested above, you can use the following line
#-----------------------------------------------------------------------

FC=/usr/bin/mpif90
FCL=$(FC)

#-----------------------------------------------------------------------
# additional options for CPP in parallel version (see also above):
# NGZhalf charge density reduced in Z direction
# wNGZhalf gamma point only reduced in Z direction
# scaLAPACK use scaLAPACK (usually slower on 100 Mbit Net)
#-----------------------------------------------------------------------

CPP = $(CPP_) -DMPI -DHOST=\"LinuxIFC\" -DIFC \
-Dkind8 -DNGZhalf -DCACHE_SIZE=16000 -DPGF90 -Davoidalloc \
-DMPI_BLOCK=8000 \
-DRPROMU_DGEMV -DRACCMU_DGEMV

#-----------------------------------------------------------------------
# location of SCALAPACK
# if you do not use SCALAPACK simply uncomment the line SCA
#-----------------------------------------------------------------------

#BLACS=$(HOME)/archives/SCALAPACK/BLACS/
#SCA_=$(HOME)/archives/SCALAPACK/SCALAPACK

#SCA= $(SCA_)/libscalapack.a \
#$(BLACS)/LIB/blacsF77init_MPI-LINUX-0.a $(BLACS)/LIB/blacs_MPI-INUX-0.a $(BLACS)/LIB/blacsF77init_MPI-LINUX-0.a

#SCA=

SCA=/opt/intel/mkl/10.2.6.038/lib/em64t/libmkl_scalapack_lp64.a /opt/intel/mkl/10.2.6.038/lib/em64t/libmkl_blacs_intelmpi_lp64.a
#-----------------------------------------------------------------------
# libraries for mpi
#-----------------------------------------------------------------------

LIB = -L../vasp.4.lib -ldmy \
../vasp.4.lib/linpack_double.o $(LAPACK) \
$(SCA) $(BLAS)

# FFT: fftmpi.o with fft3dlib of Juergen Furthmueller
#FFT3D = fftmpi.o fftmpi_map.o fft3dlib.o

# fftw.3.0.1 is slighly faster and should be used if available
#FFT3D = fftmpiw.o fftmpi_map.o fft3dlib.o /usr/local/lib/libfftw3l.a
FFT3D = fftmpiw.o fftmpi_map.o fft3dlib.o /usr/local/lib/libfftw3.a
#-----------------------------------------------------------------------
# general rules and compile lines
#-----------------------------------------------------------------------
BASIC= symmetry.o symlib.o lattlib.o random.o

SOURCE= base.o mpi.o smart_allocate.o xml.o \
constant.o jacobi.o main_mpi.o scala.o \
asa.o lattice.o poscar.o ini.o setex.o radial.o \
pseudo.o mgrid.o mkpoints.o wave.o wave_mpi.o $(BASIC) \
nonl.o nonlr.o dfast.o choleski2.o \
mix.o charge.o xcgrad.o xcspin.o potex1.o potex2.o \
metagga.o constrmag.o pot.o cl_shift.o force.o dos.o elf.o \
tet.o hamil.o steep.o \
chain.o dyna.o relativistic.o LDApU.o sphpro.o paw.o us.o \
ebs.o wavpre.o wavpre_noio.o broyden.o \
dynbr.o rmm-diis.o reader.o writer.o tutor.o xml_writer.o \
brent.o stufak.o fileio.o opergrid.o stepver.o \
dipol.o xclib.o chgloc.o subrot.o optreal.o davidson.o \
edtest.o electron.o shm.o pardens.o paircorrection.o \
optics.o constr_cell_relax.o stm.o finite_diff.o \
elpol.o setlocalpp.o aedens.o

INC=

vasp: $(SOURCE) $(FFT3D) $(INC) main.o
rm -f vasp.intel.band
$(FCL) -o vasp.intel.band $(LINK) main.o $(SOURCE) $(FFT3D) $(LIB)
makeparam: $(SOURCE) $(FFT3D) makeparam.o main.F $(INC)
$(FCL) -o makeparam $(LINK) makeparam.o $(SOURCE) $(FFT3D) $(LIB)
zgemmtest: zgemmtest.o base.o random.o $(INC)
$(FCL) -o zgemmtest $(LINK) zgemmtest.o random.o base.o $(LIB)
dgemmtest: dgemmtest.o base.o random.o $(INC)
$(FCL) -o dgemmtest $(LINK) dgemmtest.o random.o base.o $(LIB)
ffttest: base.o smart_allocate.o mpi.o mgrid.o random.o ffttest.o $(FFT3D) $(INC)
$(FCL) -o ffttest $(LINK) ffttest.o mpi.o mgrid.o random.o smart_allocate.o base.o $(FFT3D) $(LIB)
kpoints: $(SOURCE) $(FFT3D) makekpoints.o main.F $(INC)
$(FCL) -o kpoints $(LINK) makekpoints.o $(SOURCE) $(FFT3D) $(LIB)

clean:
-rm -f *.g *.f *.o *.L *.mod *.f90 ; touch *.F

main.o: main$(SUFFIX)
$(FC) $(FFLAGS)$(DEBUG) $(INCS) -c main$(SUFFIX)
xcgrad.o: xcgrad$(SUFFIX)
$(FC) $(FFLAGS) $(INLINE) $(INCS) -c xcgrad$(SUFFIX)
xcspin.o: xcspin$(SUFFIX)
$(FC) $(FFLAGS) $(INLINE) $(INCS) -c xcspin$(SUFFIX)

makeparam.o: makeparam$(SUFFIX)
$(FC) $(FFLAGS)$(DEBUG) $(INCS) -c makeparam$(SUFFIX)

makeparam$(SUFFIX): makeparam.F main.F
#
# MIND: I do not have a full dependency list for the include
# and MODULES: here are only the minimal basic dependencies
# if one strucuture is changed then touch_dep must be called
# with the corresponding name of the structure
#
base.o: base.inc base.F
mgrid.o: mgrid.inc mgrid.F
constant.o: constant.inc constant.F
lattice.o: lattice.inc lattice.F
setex.o: setexm.inc setex.F
pseudo.o: pseudo.inc pseudo.F
poscar.o: poscar.inc poscar.F
mkpoints.o: mkpoints.inc mkpoints.F
wave.o: wave.inc wave.F
nonl.o: nonl.inc nonl.F
nonlr.o: nonlr.inc nonlr.F

$(OBJ_HIGH):
$(CPP)
$(FC) $(FFLAGS) $(OFLAG_HIGH) $(INCS) -c $*$(SUFFIX)
$(OBJ_NOOPT):
$(CPP)
$(FC) $(FFLAGS) $(INCS) -c $*$(SUFFIX)

fft3dlib_f77.o: fft3dlib_f77.F
$(CPP)
$(F77) $(FFLAGS_F77) -c $*$(SUFFIX)

.F.o:
$(CPP)
$(FC) $(FFLAGS) $(OFLAG) $(INCS) -c $*$(SUFFIX)
.F$(SUFFIX):
$(CPP)
$(SUFFIX).o:
$(FC) $(FFLAGS) $(OFLAG) $(INCS) -c $*$(SUFFIX)

# special rules
#-----------------------------------------------------------------------
# these special rules are cummulative (that is once failed
# in one compiler version, stays in the list forever)
# -tpp5|6|7 P, PII-PIII, PIV
# -xW use SIMD (does not pay of on PII, since fft3d uses double prec)
# all other options do no affect the code performance since -O1 is used
#-----------------------------------------------------------------------

fft3dlib.o : fft3dlib.F
$(CPP)
$(FC) -FR -lowercase -O1 -tpp7 -xW -unroll0 -w95 -vec_report3 -c $*$(SUFFIX)
fft3dfurth.o : fft3dfurth.F
$(CPP)
$(FC) -FR -lowercase -O1 -c $*$(SUFFIX)

radial.o : radial.F
$(CPP)
$(FC) -FR -lowercase -O1 -c $*$(SUFFIX)

symlib.o : symlib.F
$(CPP)
$(FC) -FR -lowercase -O1 -c $*$(SUFFIX)

symmetry.o : symmetry.F
$(CPP)
$(FC) -FR -lowercase -O1 -c $*$(SUFFIX)

dynbr.o : dynbr.F
$(CPP)
$(FC) -FR -lowercase -O1 -c $*$(SUFFIX)

broyden.o : broyden.F
$(CPP)
$(FC) -FR -lowercase -O2 -c $*$(SUFFIX)

us.o : us.F
$(CPP)
$(FC) -FR -lowercase -O1 -c $*$(SUFFIX)

wave.o : wave.F
$(CPP)
$(FC) -FR -lowercase -O0 -c $*$(SUFFIX)

LDApU.o : LDApU.F
$(CPP)
$(FC) -FR -lowercase -O2 -c $*$(SUFFIX)

alex · #2 Post by **alex** » Thu Mar 10, 2011 8:25 am

You are probably missing some fortran libraries, like libsvml.so and so on.

Cheers,

alex