A calculation stops at the final stage in G0W0 PPA.
Posted: Mon May 22, 2017 4:30 am
Dear all,
I am using Yambo GPL Version 4.0.4 Revision 107 build with MPI+OpenMP.
When I was calcuating a SiO2 quartz having a large unit cell,
the calculation stopped at the final stage in G0W0 PPA.
$tail -n 1 l_em1d_ppa_HF_and_locXC_gw0_CPU_768
-> <12h-16m-31s> P0768: G0W0 PPA |####################################### | [097%] 12h-13m-10s(E) 12h-31m-56s(X)
The calculation did not respond at all after this output and
was killed due to a time limit (~24h).
However, some of the calculations seem to finish correclty...
$tail -n 1 l_em1d_ppa_HF_and_locXC_gw0_CPU_2
-> <10h-49m-35s> P0002: G0W0 PPA |########################################| [100%] 10h-46m-13s(E) 10h-46m-13s(X)
Do you think it is a hardware probem?
I attaced the input and output files.
The calculation was done with 288 nodes (2304 cores, flat mpi).
Best regards.
Kousuke
I am using Yambo GPL Version 4.0.4 Revision 107 build with MPI+OpenMP.
When I was calcuating a SiO2 quartz having a large unit cell,
the calculation stopped at the final stage in G0W0 PPA.
$tail -n 1 l_em1d_ppa_HF_and_locXC_gw0_CPU_768
-> <12h-16m-31s> P0768: G0W0 PPA |####################################### | [097%] 12h-13m-10s(E) 12h-31m-56s(X)
The calculation did not respond at all after this output and
was killed due to a time limit (~24h).
However, some of the calculations seem to finish correclty...
$tail -n 1 l_em1d_ppa_HF_and_locXC_gw0_CPU_2
-> <10h-49m-35s> P0002: G0W0 PPA |########################################| [100%] 10h-46m-13s(E) 10h-46m-13s(X)
Do you think it is a hardware probem?
I attaced the input and output files.
The calculation was done with 288 nodes (2304 cores, flat mpi).
Best regards.
Kousuke