Search found 8 matches
- Mon Nov 13, 2023 1:05 am
- Forum: Running the code
- Topic: Invalid memory reference -- double free or corruption (out) while doing MgB2 1x1x2 supercell calculation
- Replies: 0
- Views: 54142
Invalid memory reference -- double free or corruption (out) while doing MgB2 1x1x2 supercell calculation
Hi, I am trying to run an anisotropic calculation on MgB2 1x1x2 supercell. The unit cell calculation runs fine but the 1x1x2 supercell calculation gives the following error: Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0x7ff8e9680dbf in ...
- Tue Oct 18, 2022 2:14 am
- Forum: Running the code
- Topic: EPW calculation stuck at reading .ephmat files
- Replies: 2
- Views: 3552
Re: EPW calculation stuck at reading .ephmat files
Dear H. Lee,
Thank you for your reply! Yes I am also running this at NERSC Cori on the Haswell system partition. I was wondering if you knew what the source of the problem is and possible solutions?
Thank you for your reply! Yes I am also running this at NERSC Cori on the Haswell system partition. I was wondering if you knew what the source of the problem is and possible solutions?
- Sat Oct 15, 2022 4:41 pm
- Forum: Running the code
- Topic: EPW calculation stuck at reading .ephmat files
- Replies: 2
- Views: 3552
EPW calculation stuck at reading .ephmat files
Hi, My EPW calculation keeps getting stuck at the following step until the walltime limit. I believe the calculation is getting stuck in this step and not just terminating because of time limit as the walltime I set was 40 hours and that I am expecting the calculation to be done in 1-2 hours. epw ...
- Fri Sep 23, 2022 3:31 am
- Forum: Running the code
- Topic: Error while trying to restart with epbread = .true.
- Replies: 1
- Views: 3155
Error while trying to restart with epbread = .true.
I am trying to restart a calculation and am getting the following error message in the epw.out file: Reading input from epw.in %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine epw_readin (1): Bad line in namelist &inputepw': " kmaps = .true." (error ...
- Fri Apr 22, 2022 2:19 am
- Forum: Running the code
- Topic: dis_spheres_first_wann larger error
- Replies: 5
- Views: 4868
Re: dis_spheres_first_wann larger error
.WIN file
.WOUT file
.WOUT file
- Fri Apr 22, 2022 2:15 am
- Forum: Running the code
- Topic: dis_spheres_first_wann larger error
- Replies: 5
- Views: 4868
- Fri Apr 22, 2022 2:13 am
- Forum: Running the code
- Topic: dis_spheres_first_wann larger error
- Replies: 5
- Views: 4868
Re: dis_spheres_first_wann larger error
EPW.IN files
- Thu Apr 21, 2022 3:24 pm
- Forum: Running the code
- Topic: dis_spheres_first_wann larger error
- Replies: 5
- Views: 4868
dis_spheres_first_wann larger error
Hi, Whenever I try running my calculation, it gets stuck with the following error message until timeout in the cluster Wannierization on 6 x 6 x 6 electronic grid ------------------------------------------------------------------- Spin CASE ( default = unpolarized ) Initializing Wannier90 Error: dis ...