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
*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
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
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
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:
> 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
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
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
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