Install Yambo on Ubuntu/LinuxMint with NVfortran compiler: Difference between revisions
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Once you downloaded and installed the NVIDIA compiler do not forget to set the correct PATH and LD_LIBRARY_PATH variables.<br> | Once you downloaded and installed the NVIDIA compiler do not forget to set the correct PATH and LD_LIBRARY_PATH variables.<br> | ||
If you want to use NVIDIA compiler in parallel you need to recompile [https://www.open-mpi.org/ openmpi] or [https://www.mpich.org/ mpich] with this compiler. | If you want to use NVIDIA compiler in parallel you need to recompile [https://www.open-mpi.org/ openmpi] or [https://www.mpich.org/ mpich] with this compiler. | ||
Then you can configure Yambo with the command: | |||
./configure FC=nvfortran F77=nvfortran CC=nvc CPP="gcc -E -P" FPP="gfortran -E -P -cpp" \<br> | |||
--enable-open-mp --enable-par-linalg --enable-hdf5-par-io --enable-slepc-linalg --enable-int-linalg | |||
Revision as of 08:11, 14 June 2021
The NVIDIA compiler are freely available on Linux machines. You can download Fortran,C, C++ compiler and debugger from:
NVIDIA HPC Software Development Kit (SDK)
Once you downloaded and installed the NVIDIA compiler do not forget to set the correct PATH and LD_LIBRARY_PATH variables.
If you want to use NVIDIA compiler in parallel you need to recompile openmpi or mpich with this compiler.
Then you can configure Yambo with the command:
./configure FC=nvfortran F77=nvfortran CC=nvc CPP="gcc -E -P" FPP="gfortran -E -P -cpp" \
--enable-open-mp --enable-par-linalg --enable-hdf5-par-io --enable-slepc-linalg --enable-int-linalg