Parallel G0W0 calculation
Posted: Thu Jun 02, 2022 2:23 pm
Dear Developers,
I have been trying to run GW calculations parallel to 32 cores. I have submitted the job using slurm. But I am getting issues like
MPI startup(): PMI server not found. Please set the I_MPI_PMI_LIBRARY variable if it is not a singleton case.
I used below lines in GW.in file
PAR_def_mode= "balenced" # [PARALLEL] Default distribution mode ("balanced"/"memory"/"workload")
X_and_IO_CPU= "1 1 1 16 2" # [PARALLEL] CPUs for each role
X_and_IO_ROLEs= "q g k c v" # [PARALLEL] CPUs roles (q,g,k,c,v)
DIP_CPU= "1 16 2" # [PARALLEL] CPUs for each role
DIP_ROLEs= "k c v" # [PARALLEL] CPUs roles (k,c,v)
SE_CPU= "1 1 32" # [PARALLEL] CPUs for each role
SE_ROLEs= "q qp b"
Now how can I check job status? What wrong is happening with this process?
Kindly suggest me.
Thank You
Regards
Sumit kukreti
Ph.D. scholar
IIT Jodhpur INDIA
I have been trying to run GW calculations parallel to 32 cores. I have submitted the job using slurm. But I am getting issues like
MPI startup(): PMI server not found. Please set the I_MPI_PMI_LIBRARY variable if it is not a singleton case.
I used below lines in GW.in file
PAR_def_mode= "balenced" # [PARALLEL] Default distribution mode ("balanced"/"memory"/"workload")
X_and_IO_CPU= "1 1 1 16 2" # [PARALLEL] CPUs for each role
X_and_IO_ROLEs= "q g k c v" # [PARALLEL] CPUs roles (q,g,k,c,v)
DIP_CPU= "1 16 2" # [PARALLEL] CPUs for each role
DIP_ROLEs= "k c v" # [PARALLEL] CPUs roles (k,c,v)
SE_CPU= "1 1 32" # [PARALLEL] CPUs for each role
SE_ROLEs= "q qp b"
Now how can I check job status? What wrong is happening with this process?
Kindly suggest me.
Thank You
Regards
Sumit kukreti
Ph.D. scholar
IIT Jodhpur INDIA