VASP 6.1.2 Test Suite MPI Errors
Posted: Sun Jan 17, 2021 12:52 am
Hi VASP forum,
I'm trying to install VASP 6.1.2 on my group's computing cluster, which is configured using Intel OpenMPI on Scientific Linux 7.7. When I run the tests, some of the results come back with a 'MPI_Comm_Rank' error. If I `make veryclean` before `make all,` there's fewer test errors and the `MPI_Comm_Rank` errors go away. However, I get `MPI_Bcast` errors instead.
Has anyone else run into these issues? Any ideas for workarounds? I noticed a lot of the GW calculations fail in case that's any help for troubleshooting. I've been working with the system administrators and they're a bit stuck at present. I'd appreciate any ideas!
Best,
James Glazar
Contents of folder in tests.tar.gz:
makefile.include -- my current build file based off the included makefile.include.linux_intel and my group's old VASP 5.4.4 makefile.include
tests_short.out -- truncated output of the `make test` test suite. It shows the `MPI_Bcast` error.
tests_mpi_comm.out -- truncated output of the `make test` test suite, without having done the `make veryclean` command beforehand. It shows the `MPI_Comm_Rank` error
tests_all.out -- a full output of the `make test_all` test suite, but from a build with a slightly different makefile.include. It shows the `MPI_Bcast` errors.
I'm trying to install VASP 6.1.2 on my group's computing cluster, which is configured using Intel OpenMPI on Scientific Linux 7.7. When I run the tests, some of the results come back with a 'MPI_Comm_Rank' error. If I `make veryclean` before `make all,` there's fewer test errors and the `MPI_Comm_Rank` errors go away. However, I get `MPI_Bcast` errors instead.
Has anyone else run into these issues? Any ideas for workarounds? I noticed a lot of the GW calculations fail in case that's any help for troubleshooting. I've been working with the system administrators and they're a bit stuck at present. I'd appreciate any ideas!
Best,
James Glazar
Contents of folder in tests.tar.gz:
makefile.include -- my current build file based off the included makefile.include.linux_intel and my group's old VASP 5.4.4 makefile.include
tests_short.out -- truncated output of the `make test` test suite. It shows the `MPI_Bcast` error.
tests_mpi_comm.out -- truncated output of the `make test` test suite, without having done the `make veryclean` command beforehand. It shows the `MPI_Comm_Rank` error
tests_all.out -- a full output of the `make test_all` test suite, but from a build with a slightly different makefile.include. It shows the `MPI_Bcast` errors.