Error in installing 6.4.2 with -Duse_shmem option

[jun_yin2]

Hi,

I was triyng to install 6.4.2 on remote Slurm cluster. First I loaded this module:

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$ module list
Currently Loaded Modulefiles:
  1) gcc/11.1.0      2) openmpi/4.1.4   3) intel/2020

Then I complied using makefile.include template made of makefile.include.gnu_ompi_mkl_omp. I added some precomplier option:

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              -Duse_shmem \
              -Dshmem_bcast_buffer \
              -Dshmem_rproj \
              -Dsysv

Then I

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make all

However error showed:

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ml_ff_struct.F:15:11:

   15 |       USE mpi_f08, ONLY : MPI_Win
      |           1
Fatal Error: Cannot open module file ‘mpi_f08.mod’ for reading at (1): No such file or directory
compilation terminated.
make[2]: *** [ml_ff_struct.o] Error 1
make[2]: Leaving directory `/lustre/scratch/project/k1555/TieYuan/software/vasp.6.4.2_2/vasp.6.4.2/build/std'
cp: cannot stat ‘vasp’: No such file or directory
make[1]: *** [all] Error 1
make[1]: Leaving directory `/lustre/scratch/project/k1555/TieYuan/software/vasp.6.4.2_2/vasp.6.4.2/build/std'
make: *** [std] Error 2

After I deleted the precomplier option, installation succeeded. So I think might something went wrong with openmpi and precomplier option, but I cannot figure out the question. Hope you can help me solve the problem. Thanks.

[pedro_melo]

Dear jun_yin2,

I am not sure what the issue is here. Could you upload both versions of the makefile.include that you used?

Kind regards,
Pedro Melo

[juergen.furthmueller]

There is a little "bug" in file ml_ff_struct.F : In this file some shmem-related statement "USE mpi_f08, ONLY : MPI_Win" occurs
whch needs to be embedded into some "#ifndef sysv ... #endif". Adding these preprocessor statements all should work fine then.

Best regards,
Jürgen Furthmüller