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error when compiling vasp46

Posted: Mon Sep 18, 2006 3:40 pm
by nancyllan
Portland Group F90 Compiler of release 5.0, altals 3.6 and lapack 2.0 were used to compile VASP46 on P4 machine with Redhat linux system. I've choosed makefile.linux_pg and have the path of the FC specified on line 59 and the path of altas on line 129 changed to the righ one. It's confused to have met the following error:

rm -f vasp
/usr/pgi/linux86/5.0/bin/pgf90 -o vasp 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 fft3dfurth.o fft3dlib.o -L../vasp.4.lib -ldmy ../vasp.4.lib/linpack_double.o ../vasp.4.lib/lapack_atlas.o -llapack -lcblas -L/home/nie/VASP/ATLAS/Linux_P4SSE2 -lf77blas -latlas
/usr/bin/ld: cannot find -lcblas
make: *** [vasp] Error 2

help me please

error when compiling vasp46

Posted: Tue Sep 19, 2006 9:13 am
by admin
the libcblas.a library package cannot be found, please check if you chose the correct path in the line specifying the BLAS package you want to use (BLAS= ) and whether the BLAS had been installed correctly

error when compiling vasp46

Posted: Wed Sep 20, 2006 5:10 am
by nancyllan
Thanks a lot. I've solved this problem by deleting the "-llapack" and "-lcblas" which locate at the end of the line 142 which specify the path of lapack.