ashora
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>> Alpa Dashora
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> --
>
> P.Blaha
> --**--**
> --
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
> Email: blaha at theochem.tuwien.ac.atWWW: http://info.tuwien.ac.at/**
> theochem/ <http://info.tuwien.ac.at/theochem/>
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smoothly.
>> Is something changed in the lapw0 of the new version so that we must
>> consider additional tasks for compiling the mpi version of the code?
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Dear all,
Here is my little, own experience with
intel_12/composer_xe_2011_sp1.10.319/FFTW3/OpenMPI1.4 on a/HP Proliant
BL460c cluster/. I used the default options to compile WIEN2k_12 (except
for the path to the FFT libs). It worked fine.
However, at execution time, lapw0 systematically failed.
gt; Wien at zeus.theochem.tuwien.ac.at
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composerxe-2011.3.174 and composer_xe_2011_sp1.9.293
Am 26.07.2012 10:17, schrieb Laurence Marks:
> Correction/expansion: there have been bugs in the inteface routines provided
> in Intel mkl for fftw2, both sequential and mpi versions, and they contain
> copyright statements so
> patched versio
You seem to have several errors in your basic installation:
> setenv USE_REMOTE 0
> setenv MPI_REMOTE 0
> [arya:01254] filem:rsh: copy(): Error: File type unknown
rsh ??? What did you specify in siteconfig when configuring the parallel
environment ???
shared memory or non-shared memory ?
No, I'm not able to use them im parallel mode, but they work without problems
in sequential mode.
Am 26.07.2012 10:03, schrieb Laurence Marks:
> The mkl interface/routines for mpi are fixed? There have been problems with
> earlier mkl versions.
>
> ---
> Professor Laurenc
Or by putting the correct path and library-names into the R_LIBS field:
-L/opt/local/fftw/lib/ -lfftw_mpi -lfftw
---> -L/path-where-fftw3-is-installed -lfftw3_mpi -lfftw3
PS: For best performance on Intel-systems in sequential mode, see the comment in
the UG Chapter 11.1.1
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.atWWW: http://info.tuwien.ac.at/theochem/
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A non
e for Basic Sciences
Block-JD, Sector-III ,Salt Lake
West Bengal. India
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odes/wien2k/v12.1/SRC_lapw0'
>> make: *** [para] Error 2
>>
>> The SRC_x/compile.msg files are free of any errors apart from x=lapw0.
>> There are no such errors in the WIEN2k_11.1. The lapw0 of the WIEN2k_11.1
>> is
>> compiled and the whole of the code works smoothly.
>> Is something changed in the lapw0 of the new version so that we must
>> consider additional tasks for compiling the mpi version of the code?
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he specified application as it could not
>>> find an executable:
>>>
>>> Executable:-4
>>> Node: arya
>>>
>>> while attempting to start process rank 0.
>>>
>>> ---
>>>
>>> Kindly suggest me the solution.
>>> mpirun is available in /opt/openmpi/1.3/bin
>>>
>>> Thank you in advance.
>>>
>>> Regards,
>>>
>>> --
>>> Dr. Alpa Dashora
>>>
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>> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
>> Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
>> Email: blaha at theochem.tuwien.ac.atWWW:
>> http://info.tuwien.ac.at/theochem/
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