Dear vasp support team,
I am trying to compile vasp 6.4.3 in a new cluster with AMD EPYC 9454 processors. I am using the aocc 5.0.0 compiler with the aocl 5.0.0 libraries (liblis, libflame, libscalapack, lilbfftw), which were provided by the cluster admin team.
Unfortunately the compilation fails with the following error message:
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Error: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1)
./incar_reader.inc:142:44:
142 | call xml_incar_v(key, TYPE_CHECK, val, rdum, cdum, ldum, sdum, size(val))
| 1
Error: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar)
make[2]: *** [makefile:171: incar_reader.o] Error 1
make[2]: Leaving directory '/pfs/data6/home/ka/ka_scc/ka_an9294/Programs/uc3-software_admin/vasp/vasp-6.4.3/vasp.6.4.3/build/std'
cp: cannot stat 'vasp': No such file or directory
make[1]: *** [makefile:131: all] Error 1
make[1]: Leaving directory '/pfs/data6/home/ka/ka_scc/ka_an9294/Programs/uc3-software_admin/vasp/vasp-6.4.3/vasp.6.4.3/build/std'
make: *** [makefile:17: std] Error 2
You can find the complete compilation log, and corresponding makefile.include, within the attached zip file.
There is a somewhat related issue in the forum (see https://w.vasp.at/forum/viewtopic.php?p=23217#p23229), where the accepted answer suggests the following:
- switch to a different preprocessor e.g. cpp.
- Add -ffree-form to the preprocessor (CPP in the makefile.include).
- Rename the files that fail to .F90 (note that would require changes to the makefile as well).
Thus I would like ask what does the phrase "note that would require changes to the makefile as well" explicitly refers to?
Maybe these changes could help with my problem. Or, if not the case, what else could I try to complete my installation?
One more thing I want to comment on is the makefile.include for aocc.
I am using a makefile.include which was adapted from https://www.vasp.at/wiki/index.php/Make ... _ompi_aocl .
In my file I needed to adapt the FFLAGS in line 25 from:
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-w -fno-fortran-main -Mbackslash
to:
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-w -fbackslash
I did this because I was getting this other error message:
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gfortran: error: unrecognized command-line option ‘-fno-fortran-main’
gfortran: error: unrecognized command-line option ‘-Mbackslash’; did you mean ‘-fbackslash’?
Since this is my first time compiling for an AMD architecture I am not sure if something changed in version 5.0.0 of aocl with respect to the previous version which causes these option conlficts.
I just thought you might want to know this happened.
Best regards,
Rodrigo