[Wien] Error in paralel Lapw1

[Murat Aycibin]

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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