It is a bit hard to guess what could go wrong, since you are not telling
us how you parallelize (how your .machines file looks)
Since you say:
a) for smaller systems it works
b) sometimes it works
it could be a memory problem. Try to use less k-parallel processes and
while it is running, check with eg. "top" how much memory is used/free
in the lapw1 step.
Am 2/3/21 um 11:03 AM schrieb Murat Aycibin:
have been trying to run SCF of ZnO with Mg. I have built ZnO supercell
and replace one Zn with Mg. after that, i have done initial calculation.
everything is fine and no error. when i go for SCF i am getting below
error . I checked several times my inputs, everything looks like fine,
without supercell is working perfectly. And sometime with same set up it
is working also.
aycibin@aycibin-CELSIUS-M740:/media/aycibin/depo/Wien2k/znom$ cat *.error
Error in LAPW1
Error in LAPW1
Error in LAPW1
Error in LAPW1
Error in LAPW1
Error in LAPW1
Error in LAPW1
Error in LAPW1
Error in LAPW1
** Error in Parallel LAPW1
** LAPW1 STOPPED at Çrş 27 Oca 2021 15:40:55 +03
** check ERROR FILES!
Error in LAPW1
Error in LAPW1
Error in LAPW1
Error in LAPW1
Error in LAPW1
Error in LAPW1
Error in LAPW1
Error in LAPW1
Error in LAPW1
--
Yrd Doc Dr. Murat Aycibin
Van Yuzuncu Yil Universitesi
Fizik Bolumu
_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
--
Peter Blaha, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300 Email: peter.bl...@tuwien.ac.at
WWW: http://www.imc.tuwien.ac WIEN2k: http://www.wien2k.at
_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
