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sunyang1988

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[½»Á÷] ¡¾ÇóÖú¡¿VASP±àÒë³ö´í

×î½üѧ×űàÒëvasp£¬ÔÚÒ»¸ö½ÚµãÉϱàÒë³É¹¦(ifort 9.1)£¬ÔÚÁíÒ»¸ö½ÚµãÉϱàÒëʱ£¬ÓÉÓڸýڵãµÄifort³öÁËÎÊÌâÎÒÖØÐÂÏÂÁ˸öеÄi(fort 11.1)½á¹û±àÒëͨ¹ýºóÔËÐÐvasp³öÏÖÈçÏ´íÎóÌáʾ(Ëĸöcpu²¢ÐÐ)£º
running on    4 nodes
distr:  one band on    1 nodes,    4 groups
vasp.4.6.34 5Dec07 complex
POSCAR found :  4 types and   56 ions

-----------------------------------------------------------------------------
|                                                                             |
|  ADVICE TO THIS USER RUNNING 'VASP/VAMP'   (HEAR YOUR MASTER'S VOICE ...):  |
|                                                                             |
|      You have a (more or less) 'large supercell' and for larger cells       |
|      it might be more efficient to use real space projection operators      |
|      So try LREAL= Auto  in the INCAR   file.                               |
|      Mind: If you want to do an extremely accurate calculations keep the    |
|      reciprocal projection scheme          (i.e. LREAL=.FALSE.)             |
|                                                                             |
-----------------------------------------------------------------------------

LDA part: xc-table for Ceperly-Alder, standard interpolation
vasp: symbol lookup error: vasp: undefined symbol: __svml_trunc2
vasp: symbol lookup error: vasp: undefined symbol: __svml_trunc2
vasp: symbol lookup error: vasp: undefined symbol: __svml_trunc2
rank 3 in job 6  h25_32778   caused collective abort of all ranks
  exit status of rank 3: killed by signal 9
rank 2 in job 6  h25_32778   caused collective abort of all ranks
  exit status of rank 2: killed by signal 9

ÎÒÔÚÍøÉϲéÁËһϣ¬ÕâÀïÓиöÈËÓöµ½Í¬ÑùµÄÎÊÌâ
http://cms.mpi.univie.ac.at/vasp-forum/forum_viewtopic.php?2.4488

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the error indicates that svml_trunc2 subroutine is not found/ the call does not work. The libsvml should be added as one of the BLAS libraries, please check where it is installed on your computer (usually in the .../lib/...
subdirectory of the directory where the INTEL compiler has been installed. If you have found it, please check whether the svml_trunc2 routine is included (either by 'ar tv libsvml.a | grep -i svml_trunc2' or 'strings libsvml.so | grep -i svml_trunc2'). If it is not, please use a different BLAS (like K Goto's BLAS,..)

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sunyang1988

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
Originally posted by sunyang1988 at 2010-08-22 10:54:27:

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star watcher

sunyang1988(½ð±Ò+2):лл»Ø¸´ 2010-08-22 10:02:59
svmlºÃÏñÊÇmklÀïµÄ¡£
2Â¥2010-08-22 08:04:31
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sunyang1988

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
Originally posted by ÈñÀûµÄËéƬ at 2010-08-22 08:04:31:
svmlºÃÏñÊÇmklÀïµÄ¡£

svmlÊÇmklÀïµÄ£¬ÔÚlibÀȱµÄÊÇsvml_trunc2
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3Â¥2010-08-22 10:04:10
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sunyang1988(½ð±Ò+2):ллÈÈÐÄÈË 2010-08-22 10:53:35
zzy870720z(½ð±Ò+1):лл»Ø¸´ 2010-08-22 13:09:53
ÒýÓûØÌû:
Originally posted by sunyang1988 at 2010-08-22 10:04:10:

svmlÊÇmklÀïµÄ£¬ÔÚlibÀȱµÄÊÇsvml_trunc2

ÄǸöÊÇsvmlÀïµÄÒ»¸ö×Ó³ÌÐò£¬×¢ÒâÕâ¾ä»°£º¡°The libsvml should be added as one of the BLAS libraries¡± Èç¹ûÓÃÁËmkl£¬ÔÚblasºÍlapackºóÃæ¼ÓÉÏ-lsvmlÊÔÏÂ
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