[Pw_forum] pw.x error running on cluster

[Ren PJ]

Thanks for your answer. 
I think maybe it is the problem of parallel environment or using a old
version intel compiler (11.0). I have contact to administrator for this
problem.

================================================
任鹏举
Pengju Ren
renpj at dicp.ac.cn
State  Key Laboratory of Catalysis, 
Dalian Institute of Chemical Physics, 
Chinese Academy of Sciences 
457 zhongshan Road, Dalian, 116023, P.R. China  





On Tue, 20 Sep 2011 14:31:28 +0530
Ramesh Kumar <rameshchitumalla at gmail.com> wrote:

> Dear Pengju Ren,
> 
> It seems there is no problem with your input file as I successfully
> completed the task with your input file with in couple of minutes
> with 20 processors.
> 
> Just I added     wfcdir      = "/tmp",  and changed the pseudo
> potentials as
> 
> H     1.000 H.pw91-van_ak.UPF
> C    12.000 C.pw91-van_ak.UPF
> 
> Of-course these changes may not be the correct reason for your error.
> 
> And one more thing THE MASS OF 'H' ATOM IS *1, which also not a
> matter in scf/nscf calculations.*
> *
> *
> *Hope this helps you.*
> 
> 
>