Search found 2 matches
- Fri Jun 04, 2021 11:55 am
- Forum: Configuring and compiling ABINIT
- Topic: MPI support for ABINIT 9.4.1 on a Cray XC40 cluster
- Replies: 3
- Views: 86601
Re: MPI support for ABINIT 9.4.1 on a Cray XC40 cluster
Hi, Thank you for the advice. Unfortunately the MPI compilers are still not detected --with-mpi=/opt/cray/pe/craype/2.6.1/ gave the error message configure: error: invalid MPI settings Please adjust --with-mpi and/or CC and re-run configure --with-mpi="yes" export FC="mpifort" export CC="mpiicc" exp...
- Wed Jun 02, 2021 3:13 pm
- Forum: Configuring and compiling ABINIT
- Topic: MPI support for ABINIT 9.4.1 on a Cray XC40 cluster
- Replies: 3
- Views: 86601
MPI support for ABINIT 9.4.1 on a Cray XC40 cluster
Hi, We are installing ABINIT 9.4.1 on a Cray XC40 cluster (beskow.pdc.kth.se) and have encountered issues with the MPI support. Configuration, compilation, and linking work out fine for a non-MPI build. The problem arise when we activate MPI. The settings that I have tried, building on a compute nod...