Search found 34 matches
- Tue May 07, 2024 6:44 am
- Forum: Compilation
- Topic: Error during benchmarking
- Replies: 2
- Views: 237
Re: Error during benchmarking
Hi Wu, As the error suggests, the number of tasks "#SBATCH -n 8 " (8 in your case) should be the same as the number of k-point parallelization. Simply put for your case you should use, "mpiexec.hydra -n $SLURM_NPROCS <location of QE bin>/epw.x -nk $SLURM_NPROCS -in <input>" Notice -nk should be the ...
- Sun May 05, 2024 11:01 pm
- Forum: Running the code
- Topic: param_get_projections: too few projection functions defined
- Replies: 3
- Views: 99
Re: param_get_projections: too few projection functions defined
Hi Rijan,
In that case your nbndsub should be 40 and not 56.
Best,
Sabya.
In that case your nbndsub should be 40 and not 56.
Best,
Sabya.
- Sun May 05, 2024 11:00 pm
- Forum: Running the code
- Topic: Error in routine kpmq_map (1): k+q does not fall on k-grid
- Replies: 2
- Views: 107
Re: Error in routine kpmq_map (1): k+q does not fall on k-grid
Hi Rijan,
Please attach your files in order for us to debug. I am not sure what code is even reading in your case since you are supplying both filkf and nkf. You are supposed to supply either of them but not both.
Best,
Sabya.
Please attach your files in order for us to debug. I am not sure what code is even reading in your case since you are supplying both filkf and nkf. You are supposed to supply either of them but not both.
Best,
Sabya.
- Sat May 04, 2024 9:52 pm
- Forum: Running the code
- Topic: Error in routine epw_readin (1): You should define either filkf or nkf when band_plot = .true.
- Replies: 1
- Views: 93
Re: Error in routine epw_readin (1): You should define either filkf or nkf when band_plot = .true.
Hi Rijan,
As the error says, you should define either "filkf" or nkf" and not both as you have in your input file.
Best,
Sabya.
As the error says, you should define either "filkf" or nkf" and not both as you have in your input file.
Best,
Sabya.
- Sat May 04, 2024 9:37 pm
- Forum: Running the code
- Topic: param_get_projections: too few projection functions defined
- Replies: 3
- Views: 99
Re: param_get_projections: too few projection functions defined
Hi Rijan, What you have mentioned in the post and your epw1.in appear different. As you said you have 2 Hf atoms so 2*5(d)=10, and 8 Te atoms so 8*3(p)=24. So in total your nbndsub=34 if you are not performing a non-collinear calculation. Please check again. Otherwise, attach all your files so that ...
- Sun Jan 21, 2024 1:56 am
- Forum: Running the code
- Topic: crystal_patch.py nowhere to be found
- Replies: 1
- Views: 5119
Re: crystal_patch.py nowhere to be found
Hi Felix,
Thanks for pointing out. Indeed the link did not work. It has now been fixed.
Best regards,
Sabya.
Thanks for pointing out. Indeed the link did not work. It has now been fixed.
Best regards,
Sabya.
- Mon Jan 15, 2024 6:14 pm
- Forum: General discussion
- Topic: system_ 2D in EPW5.8
- Replies: 4
- Views: 5889
Re: system_ 2D in EPW5.8
Hi Liu and mxh, The system_2D in EPW 5.8 has been implemented using multiple formalisms. As already mentioned in the description of the input variables, I am mentioning it here again, the dipole_sp option will perform 2D truncation using "https://journals.aps.org/prb/abstract/10.1103/PhysRevB.107.15...
- Wed Dec 13, 2023 4:05 am
- Forum: Running the code
- Topic: The phonons exported by epw cannot match the phonons exported by matdyn.
- Replies: 5
- Views: 25786
Re: The phonons exported by epw cannot match the phonons exported by matdyn.
Hi Yao, Indeed, that is quite long but what I can see in your input is that you are using 128 bands. That is quite a lot!. Also, keep in mind that epw is only parallelized over the k-points. Therefore, since you have very few k-points (ignoring symmetries: 216) most of the processors are probably no...
- Sat Dec 09, 2023 9:11 pm
- Forum: Compilation
- Topic: compilation issue of EPW in qe-7.2 with nvfortran
- Replies: 1
- Views: 21503
Re: compilation issue of EPW in qe-7.2 with nvfortran
Hi Albert,
This error has been fixed in EPW v5.8. Please download the developer version from "https://gitlab.com/epw/q-e.git".
Best regards,
Sabya.
This error has been fixed in EPW v5.8. Please download the developer version from "https://gitlab.com/epw/q-e.git".
Best regards,
Sabya.
- Sat Dec 09, 2023 9:07 pm
- Forum: Running the code
- Topic: slurmstepd: error: Detected 2 oom-kill event(s)
- Replies: 1
- Views: 12541
Re: slurmstepd: error: Detected 2 oom-kill event(s)
Hi, From a first look it appears that your system where you are running EPW does not have enough memory. If it is an HPC, you can try to increase the number of nodes (while keeping the same number of cores) and see if this error goes away. Or reduce the nkf, nqf and check if it goes away. Otherwise,...