Re: [Wien] MPI Error

2021-06-19 Thread Peter Blaha
Definitely, it has nothing to do with MPI_REMOTE. apparently, your ssh setup does not transfer the "environment". There are 2 solutions: If you want to run k-parallel only on one node, simply put USE_REMOTE=0 in parallel_options. However, with this you are not able to use more nodes in one

Re: [Wien] MPI Error

2021-06-19 Thread Laurence Marks
As before, command not found is a PATH problem, nothing to do with Wien2k. Why do you want many versions? One version can run many jobs in parallel. _ Professor Laurence Marks "Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Györgyi

Re: [Wien] MPI Error

2021-06-19 Thread leila mollabashi
Dear all WIEN2k users, >The recommended option for mpi version 2 (all modern mpis) is to set MPI_REMOTE to zero. The mpirun command will be issued on the original node, but the lapw1_mpi executables will run as given in .machines. >This should solve your problem. Now mpi and k-point parallel