Search found 5 matches
- Thu Aug 09, 2018 10:52 am
- Forum: Running the code
- Topic: EPW calculation crashes at the start.
- Replies: 6
- Views: 6961
Re: EPW calculation crashes at the start.
Dear Dr. Ponce, To answer your questions: 1) I have tried an example with keeping everything exactly the same(version, no. of procs etc) and it works. 2) I am using QE-6.2.1 and EPW version 4.3.0. 3) I did not know that, but anyway I tried with the NC pseudo. Thanks a lot in advance. Regards, Simran
- Wed Aug 08, 2018 9:58 pm
- Forum: Running the code
- Topic: EPW calculation crashes at the start.
- Replies: 6
- Views: 6961
Re: EPW calculation crashes at the start.
Hello, Thank you so much for your reply. But it still doesn't work I will post my input file for you to see if something is wrong over dere. The code stops at line 203 in epw_setup.f90 and line102 in epw.f90. I have even tried with both ultrasoft and norm-conserving pseudopotentials but the error ...
- Tue Aug 07, 2018 10:30 am
- Forum: Running the code
- Topic: Crash without error
- Replies: 9
- Views: 9364
Re: Crash without error
Hello,
I am having some similar issues can you please tell me what changes you made? What compilers you used and no. of processors etc. ?
Thanks a lot in advance.
Simran
THEOS, EPFL
I am having some similar issues can you please tell me what changes you made? What compilers you used and no. of processors etc. ?
Thanks a lot in advance.
Simran
THEOS, EPFL
- Mon Aug 06, 2018 5:13 pm
- Forum: Running the code
- Topic: EPW calculation crashes at the start.
- Replies: 6
- Views: 6961
Re: the epw cal stops with giving any error in the output.
Thank you so much Carla to point that out. I tried again the calculations by removing the 2D cutoff(I did not redo the phonon calculations) in scf and nscf before performing the epw calculations. But still the EPW calculation did not run. It stopped at the same point with the same CRASH error ...
- Mon Aug 06, 2018 9:19 am
- Forum: Running the code
- Topic: EPW calculation crashes at the start.
- Replies: 6
- Views: 6961
EPW calculation crashes at the start.
Hello, I am doing some calculations using the EPW and got the following error in the CRASH file: -------------------------------------------------------------------------------------------------------------------------- forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line ...