Search found 59 matches

by mdogan
Fri Oct 22, 2021 11:12 pm
Forum: Running the code
Topic: Error in anisotropic calculation
Replies: 13
Views: 7864

Re: Error in anisotropic calculation

Dear H. Lee, Thank you very much for your detailed guidance in debugging. Here is what happened. (Refer to the Dropbox folder [https://www.dropbox.com/sh/a12q7198eiq7qxk/AAD6RGkEq6JL7tBdeZ0Yb06Ha?dl=0] for the files.) The output file looks the same (epw4.out3) but 127 out.0_* files were also created...
by mdogan
Fri Oct 01, 2021 10:42 pm
Forum: Running the code
Topic: Error in anisotropic calculation
Replies: 13
Views: 7864

Re: Error in anisotropic calculation

Dear H. Lee, Thank you for pointing these out. You may check my input file (epw4.in) in the Dropbox folder, I assume I'm only using standard inputs. From the source code, here's what I have so far: The line that sets ibin to -332 should be line 520, which is: ibin = NINT(lambda_eph / dbin) + 1 This ...
by mdogan
Wed Sep 29, 2021 7:40 pm
Forum: Running the code
Topic: Error in anisotropic calculation
Replies: 13
Views: 7864

Re: Error in anisotropic calculation

Dear H. Lee,

Thank you! Do you have any idea what may be causing this anomalous situation? As far as I can see, lambda_pairs is allocated in line 497 of supercond.f90 but I don't see where its entries get populated.

Best,
Mehmet
by mdogan
Wed Sep 29, 2021 7:29 pm
Forum: Running the code
Topic: Error in anisotropic calculation
Replies: 13
Views: 7864

Re: Error in anisotropic calculation

* I meant "I guess the error is connected with not finding lambda pairs but I'm not sure how."
by mdogan
Wed Sep 29, 2021 7:22 pm
Forum: Running the code
Topic: Error in anisotropic calculation
Replies: 13
Views: 7864

Re: Error in anisotropic calculation

Dear H. Lee, Thank you for your suggestion! I recompiled and reran as you suggested, and the resulting error message was: At line 522 of file supercond.f90 Fortran runtime error: Index '-332' of dimension 1 of array 'lambda_pairs' below lower bound of 1 Error termination. Backtrace: #0 0x4f4035 in _...
by mdogan
Tue Sep 28, 2021 4:56 pm
Forum: Running the code
Topic: Error in anisotropic calculation
Replies: 13
Views: 7864

Re: Error in anisotropic calculation

Dear Hari and H. Lee, I'm not sure I understand the memory allocation. I'm using 32 nodes with 128 GB memory each. Given that I specify 128 pools, that should mean that each pool has 32 GB of memory available. So, shouldn't that be plenty? I've also added the make.inc file to the Dropbox folder. Tha...
by mdogan
Mon Sep 27, 2021 11:12 pm
Forum: Running the code
Topic: Error in anisotropic calculation
Replies: 13
Views: 7864

Error in anisotropic calculation

Hello, I am trying to run an anisotropic Eliashberg calculation on a hydrogen phase. Although I'm able to run an isotropic calculation without an issue (epw3.in and epw3.out), the anisotropic calculation fails with the BAD TERMINATION error (epw4.in and epw4.out). The full error message is unfortuna...
by mdogan
Mon Sep 20, 2021 10:09 pm
Forum: Running the code
Topic: The imag_aniso_XX file written incorrectly
Replies: 10
Views: 7291

Re: The imag_aniso_XX file written incorrectly

Dear H. Lee, I wanted to put this question back onto your radar. I want to be able to compute the full anisotropic SC properties of this material, and I'm stuck here. I was wondering if there's been any relevant updates to the EPW code in the five months since we had our last correspondence in this ...
by mdogan
Mon Sep 20, 2021 5:49 pm
Forum: Running the code
Topic: Unfamiliar error during electron-phonon calculation
Replies: 11
Views: 7868

Re: Unfamiliar error during electron-phonon calculation

Dear H. Lee,

Thank you very much for your help. When I increased the plane wave energy cutoff to 100 Ry, the problem was solved.

Best,
Mehmet
by mdogan
Tue Jul 20, 2021 11:16 pm
Forum: Running the code
Topic: Unfamiliar error during electron-phonon calculation
Replies: 11
Views: 7868

Re: Unfamiliar error during electron-phonon calculation

Dear H. Lee,

I just put the files in their respective folders. Let me know what you think. Thank you!

Best,
Mehmet