Compilation trouble of Yambo-5.1.1 with nvcc and nvfortran from NVIDIA HPC SDK.
Posted: Thu Oct 20, 2022 3:54 pm
Dear all,
I am trying to install Yambo-5.1.1 either alone or with quantum espresso. I used nvcc and nvfortran from NVIDIA HPC SDK. In both cases, the configuration fails with the error :
"configure: testing FC-preprocessor pgfortran -Mpreprocess -E
checking if FC precompiler works on FC source... no
configure: error: Found FC precompiler problems in processing FC source."
I have used the configuration suggested by Daniele Varsano ยป Sat Jun 12, 2021, 4:43 am.
In short, here is the adapted suggested summary:
export FC=pgf90 or nvfortran
export F77=pgfortran or pg77, nvfortran
export CPP='cpp -E'
export CC=pgcc
export FPP="pgfortran -Mpreprocess -E"
export F90SUFFIX=".f90"
export MPIFC=mpifort
export MPIF77=mpifort
export MPICC=mpicc
...
./configure FC=$FC F77=$F77 CPP="cpp -E" CC=$CC MPIFC=$MPIFC MPIF77=$MPIF77 MPICC=$MPICC \
--with-blas-libs="-lblas" \
--with-lapack-libs="-llapack" \
--enable-cuda=cuda11.7,cc70 \
--enable-mpi --enable-open-mp \
--enable-msgs-comps \
--enable-time-profile \
--enable-memory-profile
I am using NVIDIA HPC SDK on the centos 8 stream, in which quantum espresso work without problem.
I will appreciate any suggestions.
Kinds regards
Albert
I am trying to install Yambo-5.1.1 either alone or with quantum espresso. I used nvcc and nvfortran from NVIDIA HPC SDK. In both cases, the configuration fails with the error :
"configure: testing FC-preprocessor pgfortran -Mpreprocess -E
checking if FC precompiler works on FC source... no
configure: error: Found FC precompiler problems in processing FC source."
I have used the configuration suggested by Daniele Varsano ยป Sat Jun 12, 2021, 4:43 am.
In short, here is the adapted suggested summary:
export FC=pgf90 or nvfortran
export F77=pgfortran or pg77, nvfortran
export CPP='cpp -E'
export CC=pgcc
export FPP="pgfortran -Mpreprocess -E"
export F90SUFFIX=".f90"
export MPIFC=mpifort
export MPIF77=mpifort
export MPICC=mpicc
...
./configure FC=$FC F77=$F77 CPP="cpp -E" CC=$CC MPIFC=$MPIFC MPIF77=$MPIF77 MPICC=$MPICC \
--with-blas-libs="-lblas" \
--with-lapack-libs="-llapack" \
--enable-cuda=cuda11.7,cc70 \
--enable-mpi --enable-open-mp \
--enable-msgs-comps \
--enable-time-profile \
--enable-memory-profile
I am using NVIDIA HPC SDK on the centos 8 stream, in which quantum espresso work without problem.
I will appreciate any suggestions.
Kinds regards
Albert