[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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