62,5th Year dual degree student,
Department of Chemical Engineering,
IIT KANPUR, UP, INDIA
-
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On Oct 14, 2010, at 21:14 , Tram Bui wrote:
> My name is Tram Bui and i'm new to the forum so i'm not quite
> sure how the Q&A work
definitely so: you have already violated a number of basic rules,
such as
- choose a meaningful subject
- do not use "reply" to start a new thread: it will co
On Thu, Oct 14, 2010 at 3:14 PM, Tram Bui wrote:
> Hi,
Welcome!
> ? My name is Tram Bui and i'm new to the forum so i'm not quite sure how the
> Q&A work,
You can email any question to the mailing list. Make sure to use a
clear subject and sign in the end of your email.
If you reply from a PW-f
pressure of system from E-V diagram and then calculate
enthalpy by H=E+PV from my data.Is it also true?
Thanks
Best Regards
Meysam Pazoki
SUT
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fter the WFC
>> initialization:
>>
>> Self-consistent Calculation
>>
>> iteration # 1 ecut=25.00 Ry beta=0.70
>> Davidson diagonalization with overlap
>> Signal 15 received.
>> .
>> .
>> .
>> Signal 15 received.
>> Job /usr/local/lsf/7.0/linux2.6-glibc2.3-x86_64/bin/mvapich_wrapper
>> VIADEV_USE_SHMEM_ALLREDUCE=0
>> VIADEV_USE_SHMEM_REDUCE=0 VIADEV_USE_SHMEM_BARRIER=0
>> DISABLE_RDMA_ALLTOALL=1
>> DISABLE_RDMA_ALLGATHER=1 DISABLE_RDMA_BARRIER=1
>> MV2_CPU_MAPPING=0:1:2:3:4:5:6:7 ./pwTest.x -in INP-PWSCF
>>
>> TID HOST_NAME COMMAND_LINESTATUS
>> TERMINATION_TIME
>> = == ===
>> ===
>> 0 moment1/usr/local/lsf/l Exit (1) 10/12/2010
>> 19:20:36
>> .
>> .
>> .
>> 1 moment1/usr/local/lsf/l Exit (174) 10/12/2010
>> 19:20:36
>>
>> As you can see, I have already tried to deactivate the shared memory
>> optimizations
>> implemented in mvapich in the Nemesis routines, but that did not help
>> either.
>> Strangely, on the same machine I can run CPMD without any issues, so I am
>> really wondering
>> what I am doing wrong or what should I change to fix this problem. I have
>> tried several different
>> MKL versions and so forth, but to be honest it seems to me that I just
>> cannot fix it.
>> Also, using the same input file and 48-72 CPUs the job will nicely finish
>> in Juelich supercomputer
>> center and also in the department's tiny local cluster running OpenMPI.
>>
>> Do you have some ideas why the machine under LSF/mvapich is not fully
>> cooperating with
>> PWSCF above 24 CPU cores, or what should be done to remedy this issue?
>>
>>
>> Thanks in advance for any helpful comment,
>>
>> Janos.
>>
>>
>> ==
>> Dr. Janos Kiss e-mail: kissi at uni-mainz.de
>> Johannes Gutenberg-Universitaet
>> Institut f. Anorg. u. Analyt. Chemie
>> AK Prof. Dr. Claudia Felser
>> Staudinger Weg 9 / Raum 01-230
>> 55128 Mainz/ Germany
>> Phone: +49-(0)6131-39-22703
>> Fax: +49-(0)6131-39-26267
>> Web: http://www.superconductivity.de/
>> =
>>
>>
>> --
>>
>> ___
>> Pw_forum mailing list
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>>
>>
>> End of Pw_forum Digest, Vol 40, Issue 20
>>
>>
>
>
>
> --
> Mr. Shyam G Khambholja
> Reseach student,
> Depratment of Physics,
> Sardar Patel University, Gujarat
> Cell No. : +91 999 888 3867
>
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>
>
--
Tram Bui
B.S. Materials Science & Engineering
trambui at u.boisestate.edu
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