[Wien] problem of wien2k parallel
Peter Blaha
pblaha at theochem.tuwien.ac.at
Wed Jun 27 07:50:47 CEST 2007
You need to have access to the compiler (and mkl) libraries on all
systems where you want to run.
Either install these libraries there, or (better), install the libraries
on a "NFS" drive, so that it is available on all nodes.
Most likely, you have also to define a variable LD_LIBRARY_PATH (which
was done automatically during userconfig on your "main system", but I
don't know if you have that on the remote system too).
ustclhm schrieb:
> Dear wien users,
>
> I have compiled wien2k_06 without error with ifort 9.0 and mkl 9.0
> on Xeon Dual Core 5140(2.33GHz), Redhat AS 4.0. I successfully test a
> serial calculation of pure Wurtzite GaN. But when I tried to do parallel
> calculation, I fail. Even I tried to run parallel calculations on manage
> unit, , I also failed. The wrong information like that:
>
> LAPW0 END
> lapw1c: error while loading shared libraries: libguide.so: cannot open shared object file: No such file or directory
>
> real 0m0.001s
> user 0m0.000s
> sys 0m0.000s
> lapw1c: error while loading shared libraries: libguide.so: cannot open shared object file: No such file or directory
>
> real 0m0.000s
> user 0m0.000s
> sys 0m0.001s
> cat: No match.
>
> When I tried testpara1, it said:
>
> lapw1para exited due to an ERROR
> Check *.error files
>
> I don't know what is wrong.
>
>
> Best wishes!
>
> Haiming Li
> 2007-06-26
>
> Best wishes!
>
> Haiming Li
> 2007-06-27
>
> --------------
> Haiming Li
> Beijing Synchrotron Radiation Facility
> Institute of High Energy Physics
> Chinese Academy of Sciences
> 19 Yu Quan Lu, 100049 Beijing, P.R. China
> Tel: 0086+10 8823 6437 / 0086+135 8190 2824
> E-mail:lihm at ihep.ac.cn / ustclhm at gmail.com
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