Search found 8 matches

by al7
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 ...
by al7
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?
by al7
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 ...
by al7
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 ...
by al7
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
win.PNG
win.PNG (12.61 KiB) Viewed 4846 times
.WOUT file
wout.PNG
wout.PNG (59.63 KiB) Viewed 4846 times
by al7
Fri Apr 22, 2022 2:15 am
Forum: Running the code
Topic: dis_spheres_first_wann larger error
Replies: 5
Views: 4868

Re: dis_spheres_first_wann larger error

EPW.OUT
epw_out2.PNG
epw_out2.PNG (48.1 KiB) Viewed 4846 times
epw_out1.PNG
epw_out1.PNG (39.14 KiB) Viewed 4846 times
epw_out5.PNG
epw_out5.PNG (45.19 KiB) Viewed 4846 times
by al7
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
epw_in_1.PNG
epw_in_1.PNG (36.6 KiB) Viewed 4846 times
epw_in_3.PNG
epw_in_3.PNG (10.05 KiB) Viewed 4846 times
epw_in_2.PNG
epw_in_2.PNG (29.28 KiB) Viewed 4846 times
by al7
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 ...