Re: [Wien] MPI error

2021-05-02 Thread leila mollabashi
Thank you. On Mon, May 3, 2021, 3:04 AM Laurence Marks wrote: > You have to solve the "mpirun not found". That is due to your > path/nfs/module -- we do not know. > > --- > Prof Laurence Marks > "Research is to see what everyone else has seen, and to think what nobody > else has thought",

Re: [Wien] MPI error

2021-05-02 Thread Laurence Marks
You have to solve the "mpirun not found". That is due to your path/nfs/module -- we do not know. --- Prof Laurence Marks "Research is to see what everyone else has seen, and to think what nobody else has thought", Albert Szent-Györgyi www.numis.northwestern.edu On Sun, May 2, 2021, 17:12 leila

Re: [Wien] MPI error

2021-05-02 Thread leila mollabashi
>You have an error in the LD_LIBRARY_PATH def you sent -- it needs to be "...:$LD_LIB..." Thank you. I have corrected it but I still have error in x lapw1 “mpirun: command not found” >Why not load the modules in the script to run a job? I have loaded but this error happened “bash: mpirun:

Re: [Wien] MPI error

2021-05-02 Thread Laurence Marks
You have an error in the LD_LIBRARY_PATH def you sent -- it needs to be "...:$LD_LIB...". Why not load the modules in the script to run a job? --- Prof Laurence Marks "Research is to see what everyone else has seen, and to think what nobody else has thought", Albert Szent-Györgyi

Re: [Wien] MPI error

2021-05-02 Thread leila mollabashi
Dear all The admin told me that I can use this line in the script “/opt/exp_soft/local/generic/openmpi/4.1.0_gcc620/bin/mpiexec /home/users/SOME_USER/app/my_mpi_app -o option 1 -in /home/users/SOME_USER/path/to/input1 -o ./output1” Would you please guide me about this line? Should I use

Re: [Wien] MPI error

2021-05-02 Thread leila mollabashi
Dear all WIEN2k users, Thank you for your reply. >The error is exactly what it says -- mpirun not found. This has something to do with the modules, almost certainly the openmpi one. You need to find where mpirun is on your system, and ensure that it is in your PATH. This is an issue with your

Re: [Wien] MPI error

2021-05-02 Thread Fecher, Gerhard
I guess that module does not work with tcsh Ciao Gerhard DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy: "I think the problem, to be quite honest with you, is that you have never actually known what the question is." Dr. Gerhard H. Fecher

Re: [Wien] MPI error

2021-05-02 Thread Laurence Marks
Inlined response and questions On Sun, May 2, 2021 at 2:19 PM leila mollabashi wrote: > Dear Prof. Peter Blaha and WIEN2k users, > > Now I have loaded the openmpi/4.1.0 and compiled Wine2k. The admin told me > that I can use your script in >http://www.wien2k.at/reg_user/faq/slurm.job >

Re: [Wien] MPI error

2021-05-02 Thread leila mollabashi
Dear Prof. Peter Blaha and WIEN2k users, Now I have loaded the openmpi/4.1.0 and compiled Wine2k. The admin told me that I can use your script in >http://www.wien2k.at/reg_user/faq/slurm.job . I added this lines to it too: module load openmpi/4.1.0_gcc620 module load ifort module load mkl but

Re: [Wien] MPI error

2021-05-02 Thread leila mollabashi
Dear Prof. Peter Blaha and WIEN2k users, Now I have loaded the openmpi/4.1.0 and compiled Wine2k. The admin told me that I can use your script in >http://www.wien2k.at/reg_user/faq/slurm.job . I added this lines to it too: module load openmpi/4.1.0_gcc620 module load ifort module load mkl but