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hnuzhoulin

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ǰ¼¸Ìì²Å³¢ÊÔÓÃgfortranºÍmpich2±àÒësiesta£¬Í¨¹ýÁË£¬²¢ÇÒÔÚtestĿ¼ºÍexample¡¢Ä¿Â¼Ï¶¼Äܹ»¼ÆËãµÃµ½²î²»¶àµÄ½á¹û¡£ÓÉÓÚµ±Ê±°²×°µÄmpich2ÓõÄÊÇmpd£¬ºóÀ´¸ÄÓÃаæµÄmpich2»»hydra×÷Ϊ½ø³Ìµ÷¶ÈµÄϵͳ£¬ÓÚÊÇÖØÐ±àÒëÁËһϣºÕâ´Î³¢ÊÔÓÃifort10+mpich2£¬±àÒë¹ý³Ìûʲô´íÎ󣬵«ÊÇÔÚtestĿ¼ÏÂmake£¬µÃµ½µÄ´íÎóÈçÏ£º
CODE:
[zhoulin@cluster h2o]$ make
>>>> Running h2o test...
    ==> Copying pseudopotential file for H...
    ==> Copying pseudopotential file for O...
    ==> Running SIESTA as ../../../Src/siesta
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line        Source            
libmkl_mc3.so      00002B54A3C4CF8F  Unknown               Unknown  Unknown
make: *** [completed] Error 174

ÓÚÊÇÎÒ½«¿ÉÖ´ÐÐÎļþ¿½±´µ½µÚÒ»´ÎÕýÈ·ÔËÐУ¨gfortran±àÒë³É¹¦ÄǴΣ©µÄĿ¼£¬ÔٴΠ ./siestaCODE:
initatom: Reading input for the pseudopotentials and atomic orbitals ----------
Species number:            1  Label: O Atomic number:           8
Species number:            2  Label: H Atomic number:           1
Ground state valence configuration:   2s02  2p04
Reading pseudopotential information in formatted form from O.psf
Semicore shell(s) with -5 electrons included in the valence for
O
Ground state valence configuration:   1s01
Reading pseudopotential information in formatted form from H.psf
O                    must be in PAO.Basis (it has semicore states)
Stopping Program from Node:    0
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
[unset]: aborting job:
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0

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[ Last edited by hnuzhoulin on 2011-7-19 at 16:02 ]
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hnuzhoulin(½ð±Ò+5): 2011-07-20 16:14:00
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hnuzhoulin

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Originally posted by identation at 2011-07-19 20:22:05:
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hnuzhoulin

½ð³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
Originally posted by dxcharlary at 2011-07-20 11:59:35:
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