Dear PWSCF users
Recently, I compiled the V4.0cvs on our ITS machine, IA64 with Linux.
When I run the examples from the package, e.g. example01 on Si crystal.
The calculation can easily get the LSF overload and I got the warning
message from the admin:
> Your job on cypress (JobID 114850) is causing the load average to get very
> high again. Whatever you are doing is giving the system problems.
Please help me on tuning the configuration and make our system admin a
little happier when he see me.
There is another problem which actually I have sent to the maillist but
got no reply yet. Has it been answered somewhere else many times, if so,
please let me know.
I am not sure this is a problem originated from MPICH and LSF. I now can
finish the example with Si, from SCF calculation to bands calculation,
to band post-processing. However, I am still not lucky on trying the
GIPAW example. Since our ITS machines do not allow interactive job, I
submit job through bsub. I successfully finished si.scf.in, which is
extracted from the GIPAW example. When I continued to run the nmr part,
it failed. The error message is like this when I submitted the job:
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
from gipaw_readin : error # 1
reading inputgipaw namelist
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
The MPI error message is like this:
MPI: On host cypress, Program
/netscr/polynmr/espresso4.0cvs2/GIPAW/gipaw.x, Rank 0, Process 4934 called
MPI_Abort(<communicator>, 0)
MPI: --------stack traceback-------
line: 2 Unable to parse input as legal command or C expression.
The "backtrace" command has failed because there is no running program.
MPI: Intel(R) Debugger for applications running on IA-64, Version 10.1-32
, Build 20070829
MPI: -----stack traceback ends-----
MPI: MPI_COMM_WORLD rank 0 has terminated without calling MPI_Finalize()
MPI: aborting job
It looks the -in option does not work with GIPAW code, am I right?
In case this is the configure problem, I have may config.log attached.
Thanks!
Charles Chen
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