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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

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP