[Wien] problem in making case.vectorup_1
Saba k
sabakhosh at googlemail.com
Wed Feb 29 14:13:17 CET 2012
Dear all,
I use Wien2k 10.0,
Mkl 10.2.5.035
Ifort 11.1
on OS suse11.3, cpu : Intel quad 64 bit, I don't use mpi
I study a fcc bulk,
It is a complex system and also spin polarized then I have lapw1c up
and lapw1c dn
I use the command " runsp_lapw -it -in1new 3 -cc 0.00001 -p"
I compiled my Wien2k and I can run the case without parallel great
but the problem happens when I have parallel run
it crashes at lapw2 because it can not find case.energyup_1
I checked to see what is going
I checked before the run testpara_lapw : ok
then
I saw it makes following files
case.klist_1 dnlapw1_1.def uplapw1_1.def
case.klist_2 dnlapw1_2.def uplapw1_2.def
case.klist_3 dnlapw1_3.def uplapw1_3.def
case.klist_4 dnlapw1_4.def uplapw1_4.def
but instead of making
case.vectorup_1, case.vectorup_2, case.vectorup_3, case.vectorup_4; the
same for dn
it only makes case.vectorup & case.vectordn, later only case.energyup &
case.energydn
then, at the moment of lapw2 it looks for case.energyup_1 and it can not
find it , so it crashes
As vector files are scratch files, what do you think about my problem and
how I can solve it?
Thanks in advance
Saba Khosh
ps as I do not have a memory shared then during compile I said this option
no
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