EPW Forum

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 ...

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 ...

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

* I meant "I guess the error is connected with not finding lambda pairs but I'm not sure how."

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 ...

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 ...

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 ...

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 ...

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

Dear H. Lee,

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

Best,
Mehmet