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Unable to open MODULE file netcdf.mod when compiling yambo on GPU nodes with NVHPC-SDK

Posted: Mon Apr 24, 2023 4:45 am
by Dean
Dear all,
I met an error "Unable to open MODULE file netcdf.mod" when compiling yambo on GPU nodes with NV HPC-SDK.
Here is my setting:
export PATH=/home/dingym/bin/nvhpc_sdk/Linux_x86_64/23.3/compilers/bin:$PATH

export MANPATH=/home/dingym/bin/nvhpc_sdk/Linux_x86_64/23.3/compilers/man:$MANPATH

export PATH=/home/dingym/bin/nvhpc_sdk/Linux_x86_64/23.3/comm_libs/openmpi/openmpi-3.1.5/bin:$PATH

export MANPATH=$MANPATH:/home/dingym/bin/nvhpc_sdk/Linux_x86_64/23.3/comm_libs/openmpi/openmpi-3.1.5/share/man
./configure FC=nvfortran F77=nvfortran CPP="cpp -E" FPP="nvfortran -Mpreprocess -E" MPICC=mpicc MPIFC=mpifort MPIF77=mifort CC=nvc --with-blas-libs="-lblas" --with-lapack-libs="-llapack" --enable-cuda=cuda11.0,cc80 --enable-open-mp --enable-mpi --enable-time-profile --enable-memory-profile --enable-msgs-comps.

More details can be found in the attachments.

From setup, the related files of "netcdf" will be installed under xxx/lib/external/nvfortran/mpifort/v4/parallel, but this directory is empty.

Any help is appreciated. Thanks in advance.

Best,

Re: Unable to open MODULE file netcdf.mod when compiling yambo on GPU nodes with NVHPC-SDK

Posted: Mon Apr 24, 2023 11:29 am
by Daniele Varsano
Dear Yimin,

did you do a
make distclean
before reconfiguring the installation?

Best,
Daniele

Re: Unable to open MODULE file netcdf.mod when compiling yambo on GPU nodes with NVHPC-SDK

Posted: Tue Apr 25, 2023 1:54 am
by Dean
Dear Dniele,
Thanks for your reply.
I changed the version of NVHPC SDK form 2023 to 2020, then it works without error.
But, the efficiency of GPU version is much lower than that of CPU version. Please see this topic, viewtopic.php?t=2408
This is confusing.
Thanks in advance.

Best,