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

Having trouble compiling the Yambo source? Using an unusual architecture? Problems with the "configure" script? Problems in GPU architectures? This is the place to look.

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If you have trouble compiling Yambo, please make sure to list:
(1) the compiler (vendor and release: e.g. intel 10.1)
(2) the architecture (e.g. 64-bit IBM SP5)
(3) if the problems occur compiling in serial/in parallel
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(5) the relevant compiler error message
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Dean
Posts: 101
Joined: Thu Oct 10, 2019 7:03 am

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

Post by Dean » Mon Apr 24, 2023 4:45 am

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,
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Dr. Yimin Ding
Soochow University, China.
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Daniele Varsano
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Re: Unable to open MODULE file netcdf.mod when compiling yambo on GPU nodes with NVHPC-SDK

Post by Daniele Varsano » Mon Apr 24, 2023 11:29 am

Dear Yimin,

did you do a
make distclean
before reconfiguring the installation?

Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
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Dean
Posts: 101
Joined: Thu Oct 10, 2019 7:03 am

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

Post by Dean » Tue Apr 25, 2023 1:54 am

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,
Dr. Yimin Ding
Soochow University, China.
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