Re: [Wien] lapwso_mpi error

2016-12-08 Thread Peter Blaha
What kind of job is it, that lapw0_mpi runs for 9800 seconds ??? Is there any speedup when using 40 instead of 20 cores ? Your error is in lapw1_mpi, not in lapwso_mpi ??? No idea about your software, but I doubt that it is wien2k. Am 08.12.2016 um 16:56 schrieb Md. Fhokrul Islam: Hi Prof

Re: [Wien] lapwso_mpi error

2016-11-17 Thread Gavin Abo
*From:* Wien <wien-boun...@zeus.theochem.tuwien.ac.at> on behalf of Gavin Abo <gs...@crimson.ua.edu> *Sent:* Sunday, November 13, 2016 11:40 PM *To:* A Mailing list for WIEN2k users *Subject:* Re: [Wien] lapwso_mpi error

Re: [Wien] lapwso_mpi error

2016-11-16 Thread Peter Blaha
ember 11, 2016 7:12 PM *To:* A Mailing list for WIEN2k users *Subject:* Re: [Wien] lapwso_mpi error I have repeated the calculation as you suggested. I have used current > work directory as SCRATCH but I got the same error. I don't see > anything wrong with lapw1. You have to send us detaile

Re: [Wien] lapwso_mpi error

2016-11-14 Thread Md. Fhokrul Islam
oun...@zeus.theochem.tuwien.ac.at> on behalf of Gavin Abo <gs...@crimson.ua.edu> Sent: Sunday, November 13, 2016 11:40 PM To: A Mailing list for WIEN2k users Subject: Re: [Wien] lapwso_mpi error Ok, I agree that it is likely not due to the set up of the scratch directory. What version of if

Re: [Wien] lapwso_mpi error

2016-11-13 Thread Gavin Abo
Ok, I agree that it is likely not due to the set up of the scratch directory. What version of ifort was used? If you happened to use 16.0.3.210, maybe it is caused by an ifort bug [ https://software.intel.com/en-us/articles/read-failure-unformatted-file-io-psxe-16-update-3 ]. Perhaps you

Re: [Wien] lapwso_mpi error

2016-11-12 Thread Gavin Abo
If you use the terminal command: echo $SCRATCH Does it return: ./ Looks like there might still be a problem with how SCRATCH is defined or how "./" is resolved by your system. In the error message, you can see:

Re: [Wien] lapwso_mpi error

2016-11-11 Thread Peter Blaha
> I have repeated the calculation as you suggested. I have used current > work directory as SCRATCH but I got the same error. I don't see > anything wrong with lapw1. You have to send us detailed error messages. It cannot be true that your SCRATCH is the working directory, when an error

Re: [Wien] lapwso_mpi error

2016-11-11 Thread Md. Fhokrul Islam
oun...@zeus.theochem.tuwien.ac.at> on behalf of Peter Blaha <pbl...@theochem.tuwien.ac.at> Sent: Friday, November 11, 2016 6:34 AM To: A Mailing list for WIEN2k users Subject: Re: [Wien] lapwso_mpi error At first I would have guessed that you run out of memory (need more cores for 300 atom cells). Howeve

Re: [Wien] lapwso_mpi error

2016-11-10 Thread Peter Blaha
At first I would have guessed that you run out of memory (need more cores for 300 atom cells). However, the error message points to the fact that already lapw1 had a problem. Disk space ?? Or the scratch file system was changed on your batch job Try to repeat it with lapw1/lapwso in the