Page 1 of 1

FORTRAN ERROR while using GPU

Posted: Wed Oct 09, 2024 8:16 pm
by Ponnappa
Dear Developers,
We where trying to install yambo in GPU using
./configure FC=nvfortran F77=nvfortran CC=nvc CPP="cpp -E" FPP="nvfortran -Mpreprocess -E" --enable-cuda="cuda11.7,cc80" --enable-time-profile
--enable-memory-profile --with-hdf5-path=/opt/cray/pe/hdf5-parallel/1.12.2.3/nvidia/20.7
--with-blas-libs=/c14scratch/hpc_sdk/Linux_x86_64/24.7/REDIST/compilers/lib/libblas.so
--with-lapack-libs=/c14scratch/hpc_sdk/Linux_x86_64/24.7/REDIST/compilers/lib/liblapack.so
--with-fft-path=/opt/cray/pe/fftw/3.3.10.3/x86_milan
--with-libxc-path=/global/common/software/nersc/pm-2021q4/sw/libxc/v5.2.2/alv-gpu MPIFC='ftn' MPIF77='ftn' MPICC='cc' MPICXX='CC'
--enable-par-linalg --enable-hdf5-par-io --enable-open-mp
The compilation is completed. The SAVE folder can we generated using p2y however when trying to use the yambo excecutable we face an error
"Warning: ieee_inexact is signaling
FORTRAN STOP"
We face the same error while trying to run interactively or while using script file.

Kindly let us know the issue which we might be facing. Thank you in advance.

Regards,
Ponnappa K. P.

Re: FORTRAN ERROR while using GPU

Posted: Fri Oct 11, 2024 8:02 am
by Nicola Spallanzani
Dear Ponnappa,
which versione of Yambo have you compiled? From a tarball or from github?

Which is the command that you launched and returns that error?

Best regards,
Nicola

Re: FORTRAN ERROR while using GPU

Posted: Fri Oct 11, 2024 11:10 am
by Ponnappa
Dear Nicola,

We have used yambo 5.2.2 and the tar file was taken from github tar.gz format.

When I launch yambo to generate r_setup file or when i try yambo -gw0 p -g n -r -V par -F gw.in to generate input file and even when I try to run it further using the input file I get the above mentioned error.

If I do the same in a place where SAVE directory is not present then it will produce some default values. It seems there is some problem reading the files (I am not sure).

Regards,
Ponnappa K. P.