Hi Dr/ Blaha Thanks you for your reply I took smaller k value 12 in 5x5x3 grid(100 k points i defined). I got the same mistake. I have computer which has 64 GB Ramand i have 16 core (intel xeon processes). My machine file is
.machines is the control file for parallel execution. Add lines like # # speed:machine_name # # for each machine specifying there relative speed. For mpi parallelization use # # speed:machine_name:1 machine_name:1 # lapw0:machine_name:1 machine_name:1 # # further options are: # # granularity:number (for loadbalancing on irregularly used machines) # residue:machine_name (on shared memory machines) # extrafine (to distribute the remaining k-points one after the other) # # granularity sets the number of files that will be approximately # be generated by each processor; this is used for load-balancing. # On very homogeneous systems set number to 1 # if after distributing the k-points to the various machines residual # k-points are left, they will be distributed to the residual-machine_name. # 1:localhost 1:localhost 1:localhost 1:localhost 1:localhost 1:localhost 1:localhost 1:localhost 1:localhost 1:localhost 1:localhost 1:localhost 1:localhost 1:localhost 1:localhost 1:localhost granularity:1 extrafine:1 # # Uncomment for specific OMP-parallelization (overwriting a global OMP_NUM_THREADS) # #omp_global:4 # or use program-specific parallelization: #omp_lapw0:4 #omp_lapw1:4 #omp_lapw2:4 #omp_lapwso:4 #omp_dstart:4 #omp_sumpara:4 #omp_nlvdw:4 I had RTmax 7 percent. The error .machines is the control file for parallel execution. Add lines like # # speed:machine_name # # for each machine specifying there relative speed. For mpi parallelization use # # speed:machine_name:1 machine_name:1 # lapw0:machine_name:1 machine_name:1 # # further options are: # # granularity:number (for loadbalancing on irregularly used machines) # residue:machine_name (on shared memory machines) # extrafine (to distribute the remaining k-points one after the other) # # granularity sets the number of files that will be approximately # be generated by each processor; this is used for load-balancing. # On very homogeneous systems set number to 1 # if after distributing the k-points to the various machines residual # k-points are left, they will be distributed to the residual-machine_name. # 1:localhost 1:localhost 1:localhost 1:localhost 1:localhost 1:localhost 1:localhost 1:localhost 1:localhost 1:localhost 1:localhost 1:localhost 1:localhost 1:localhost 1:localhost 1:localhost granularity:1 extrafine:1 # # Uncomment for specific OMP-parallelization (overwriting a global OMP_NUM_THREADS) # #omp_global:4 # or use program-specific parallelization: #omp_lapw0:4 #omp_lapw1:4 #omp_lapw2:4 #omp_lapwso:4 #omp_dstart:4 #omp_sumpara:4 #omp_nlvdw:4 . I do not have any idea what is wrong now. -- Yrd Doc Dr. Murat Aycibin Van Yuzuncu Yil Universitesi Fizik Bolumu
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