Has anyone managed to compile vasp 5.2 with a pathscale (version 2.9.99) compiler? Vasp 4.6 compiles but with version 5.2 there are problems with us.F, fock.F subrot_cluster.F.
Below is an example of the error messages when attempting to compile us.F.
./preprocess <us.F | /usr/bin/cpp -P -C -traditional >us.f90 -DMPI -DHOST=\"LinuxIFC\" -DPGF90 -Dkind8 -DNGZhalf -DCACHE_SIZE=8000 -Davoidalloc -DMPI_BLOCK=2000 -Duse_cray_ptr
/CHPC/usr/local/mvapich/bin/mpif90 -lowercase -O1 -c us.f90
SUBROUTINE SETDIJ(WDES, GRIDC_,GRIDUS,C_TO_US,LATT_CUR,P,T_INFO, LOVERL, &
^
pathf95-1277 pathf90: ERROR SETDIJ, File = us.f90, Line = 1297, Column = 16
Procedure "SETDIJ" is referenced at line 817 (us.f90). It must have an explicit interface specified.
^
pathf95-1277 pathf90: ERROR SETDIJ, File = us.f90, Line = 1297, Column = 16
Procedure "SETDIJ" is referenced at line 817 (us.f90). It must have an explicit interface specified.
SUBROUTINE SETDIJ_(WDES, GRIDC_,GRIDUS,C_TO_US,LATT_CUR,P,T_INFO, LOVERL, &
^
pathf95-1277 pathf90: ERROR SETDIJ_, File = us.f90, Line = 1335, Column = 16
Procedure "SETDIJ_" is referenced at line 1330 (us.f90). It must have an explicit interface specified.
^
pathf95-1277 pathf90: ERROR SETDIJ_, File = us.f90, Line = 1335, Column = 16
Procedure "SETDIJ_" is referenced at line 689 (us.f90). It must have an explicit interface specified.
^
pathf95-1277 pathf90: ERROR SETDIJ_, File = us.f90, Line = 1335, Column = 16
Procedure "SETDIJ_" is referenced at line 689 (us.f90). It must have an explicit interface specified.
CALL SETYLM_AUG(GRIDC,LATT_CUR,T_INFO%POSION(1,NI),PP%PSDMAX,NPSRNL, &
^
pathf95-1615 pathf90: WARNING SETDIJ_, File = us.f90, Line = 1452, Column = 51
Procedure "SETYLM_AUG" is defined at line 1027 (us.f90). Dummy argument "POSION" is an array argument. This argument is scalar.
CALL SETDEP(PP%QDEP(1,1,LDEP_INDEX),PP%PSDMAX,NPSRNL, &
^
pathf95-1615 pathf90: WARNING SETDIJ_, File = us.f90, Line = 1474, Column = 26
Procedure "SETDEP" is defined at line 1257 (us.f90). Dummy argument "QDEP" is an array argument. This argument is scalar.
CALL SETDEP(PP%QDEP(1,1,L),PP%PSDMAX,NPSRNL, &
^
pathf95-1615 pathf90: WARNING SETDIJ_, File = us.f90, Line = 1527, Column = 29
Procedure "SETDEP" is defined at line 1257 (us.f90). Dummy argument "QDEP" is an array argument. This argument is scalar.
CALL SETDEP(PP%QDEP(1,1,L),PP%PSDMAX,NPSRNL, &
^
pathf95-1615 pathf90: WARNING SETDIJ_, File = us.f90, Line = 1553, Column = 29
Procedure "SETDEP" is defined at line 1257 (us.f90). Dummy argument "QDEP" is an array argument. This argument is scalar.
CALL SETDEP(PP%QDEP(1,1,L),PP%PSDMAX,NPSRNL, &
^
pathf95-1615 pathf90: WARNING SETDIJ_, File = us.f90, Line = 1577, Column = 29
Procedure "SETDEP" is defined at line 1257 (us.f90). Dummy argument "QDEP" is an array argument. This argument is scalar.
LMDIM,CDIJ,AVTOT_, NONLR_S, NONL_S, IRDMAX, DISPL, A_ONE_CENTER)
^
pathf95-1279 pathf90: WARNING SETDIJ_VEC_, File = us.f90, Line = 1717, Column = 20
Procedure "SETDIJ_VEC_" is defined at line 122 (us.f90). The type of this argument does not agree with dummy argument "AVTOT_".
CALL SETYLM_AUG(GRIDC,LATT_CUR,T_INFO%POSION(1,NI),PP%PSDMAX,NPSRNL, &
^
pathf95-1615 pathf90: WARNING SETDIJ_VEC_, File = us.f90, Line = 1825, Column = 51
Procedure "SETYLM_AUG" is defined at line 1027 (us.f90). Dummy argument "POSION" is an array argument. This argument is scalar.
CALL SETDEP(PP%QDEP(1,1,L),PP%PSDMAX,NPSRNL, &
^
pathf95-1615 pathf90: WARNING SETDIJ_VEC_, File = us.f90, Line = 1835, Column = 29
Procedure "SETDEP" is defined at line 1257 (us.f90). Dummy argument "QDEP" is an array argument. This argument is scalar.
SUBROUTINE AUGMENTATION_CHARGE( &
^
pathf95-1277 pathf90: ERROR AUGMENTATION_CHARGE, File = us.f90, Line = 2309, Column = 16
Procedure "AUGMENTATION_CHARGE" is referenced at line 2281 (us.f90). It must have an explicit interface specified.
^
pathf95-1277 pathf90: ERROR AUGMENTATION_CHARGE, File = us.f90, Line = 2309, Column = 16
Procedure "AUGMENTATION_CHARGE" is referenced at line 2207 (us.f90). It must have an explicit interface specified.
CALL SETYLM_AUG(GRIDC,LATT_CUR,T_INFO%POSION(1,NI),PP%PSDMAX,NPSRNL, &
^
pathf95-1615 pathf90: WARNING AUGMENTATION_CHARGE, File = us.f90, Line = 2495, Column = 51
Procedure "SETYLM_AUG" is defined at line 1027 (us.f90). Dummy argument "POSION" is an array argument. This argument is scalar.
CALL SETDEP(PP%QDEP(1,1,LDEP_INDEX),PP%PSDMAX,NPSRNL, &
^
pathf95-1615 pathf90: WARNING AUGMENTATION_CHARGE, File = us.f90, Line = 2514, Column = 26
Procedure "SETDEP" is defined at line 1257 (us.f90). Dummy argument "QDEP" is an array argument. This argument is scalar.
CALL SETDEP(PP%QDEP(1,1,L),PP%PSDMAX,NPSRNL, &
^
pathf95-1615 pathf90: WARNING AUGMENTATION_CHARGE, File = us.f90, Line = 2566, Column = 29
Procedure "SETDEP" is defined at line 1257 (us.f90). Dummy argument "QDEP" is an array argument. This argument is scalar.
CALL SETDEP(PP%QDEP(1,1,L),PP%PSDMAX,NPSRNL, &
^
pathf95-1615 pathf90: WARNING AUGMENTATION_CHARGE, File = us.f90, Line = 2591, Column = 29
Procedure "SETDEP" is defined at line 1257 (us.f90). Dummy argument "QDEP" is an array argument. This argument is scalar.
CALL SETDEP(PP%QDEP(1,1,L),PP%PSDMAX,NPSRNL, &
^
pathf95-1615 pathf90: WARNING AUGMENTATION_CHARGE, File = us.f90, Line = 2613, Column = 29
Procedure "SETDEP" is defined at line 1257 (us.f90). Dummy argument "QDEP" is an array argument. This argument is scalar.
LMDIM, CRHODE, JTOT_, IRDMAX, DISPL, A_ONE_CENTER)
^
pathf95-1279 pathf90: WARNING CURRENT_AUGMENTATION, File = us.f90, Line = 2676, Column = 27
Procedure "CURRENT_AUGMENTATION" is defined at line 152 (us.f90). The type of this argument does not agree with dummy argument "JTOT_".
CALL SETYLM_AUG(GRIDC,LATT_CUR,T_INFO%POSION(1,NI),PP%PSDMAX,NPSRNL, &
^
pathf95-1615 pathf90: WARNING CURRENT_AUGMENTATION, File = us.f90, Line = 2771, Column = 51
Procedure "SETYLM_AUG" is defined at line 1027 (us.f90). Dummy argument "POSION" is an array argument. This argument is scalar.
CALL SETDEP(PP%QDEP(1,1,L),PP%PSDMAX,NPSRNL, &
^
pathf95-1615 pathf90: WARNING CURRENT_AUGMENTATION, File = us.f90, Line = 2789, Column = 29
Procedure "SETDEP" is defined at line 1257 (us.f90). Dummy argument "QDEP" is an array argument. This argument is scalar.
LMDIM, CRHODE, JTOT_, MAGATOM, JPAW_DIA, IRDMAX, DISPL )
^
pathf95-1279 pathf90: WARNING CURRENT_AUGMENTATION_DIA, File = us.f90, Line = 2837, Column = 27
Procedure "CURRENT_AUGMENTATION_DIA" is defined at line 186 (us.f90). The type of this argument does not agree with dummy argument "JTOT_".
CALL SETYLM_AUG(GRIDC,LATT_CUR,T_INFO%POSION(1,NI),PP%PSDMAX,NPSRNL, &
^
pathf95-1615 pathf90: WARNING CURRENT_AUGMENTATION_DIA, File = us.f90, Line = 2932, Column = 51
Procedure "SETYLM_AUG" is defined at line 1027 (us.f90). Dummy argument "POSION" is an array argument. This argument is scalar.
CALL SETDEP(PP%QDEP(1,1,L),PP%PSDMAX,NPSRNL, &
^
pathf95-1615 pathf90: WARNING CURRENT_AUGMENTATION_DIA, File = us.f90, Line = 2942, Column = 29
Procedure "SETDEP" is defined at line 1257 (us.f90). Dummy argument "QDEP" is an array argument. This argument is scalar.
CALL SETYLM_AUG(GRIDC,LATT_CUR,T_INFO%POSION(1,NI),PP%PSDMAX,NPSRNL, &
^
pathf95-1615 pathf90: WARNING SETDIJ_VEC_DUMM, File = us.f90, Line = 3094, Column = 51
Procedure "SETYLM_AUG" is defined at line 1027 (us.f90). Dummy argument "POSION" is an array argument. This argument is scalar.
CALL SETDEP(PP%QDEP(1,1,L),PP%PSDMAX,NPSRNL, &
^
pathf95-1615 pathf90: WARNING SETDIJ_VEC_DUMM, File = us.f90, Line = 3104, Column = 29
Procedure "SETDEP" is defined at line 1257 (us.f90). Dummy argument "QDEP" is an array argument. This argument is scalar.
pathf95: PathScale(TM) Fortran Version 2.9.99 (f14) Tue Aug 25, 2009 19:34:32
pathf95: 3170 source lines
pathf95: 7 Error(s), 21 Warning(s), 0 Other message(s), 0 ANSI(s)
pathf95: "explain pathf95-message number" gives more information about each message
make: *** [us.o] Error 2
Any suggestions on how to deal with this will be most welcome.
Thank you.
Daniel
vasp 5.2 compilation problems with pathscale compiler
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dpj
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vasp 5.2 compilation problems with pathscale compiler
Last edited by dpj on Tue Aug 25, 2009 5:32 pm, edited 1 time in total.
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support_vasp
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Re: vasp 5.2 compilation problems with pathscale compiler
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