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2Â¥2010-11-22 08:07:59
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3Â¥2010-11-22 10:19:02
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4Â¥2010-11-22 10:26:09
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sunyang1988(½ð±Ò+1):лл»Ø¸´ 2010-11-22 10:49:31
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5Â¥2010-11-22 10:29:30
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ÄúºÃ£¬ÇëÎÊÎÒÕâÊÇʲôÎÊÌ⣬Total vdW correction in eV: 2.4289826 RMM: 15 0.862434081949E+00 0.46344E-06 -0.72417E-06 444 0.850E-03 Total vdW correction in eV: 2.4290776 Total vdW correction in eV: 2.4290349 1 F= 0.86243408E+00 E0= 0.86243408E+00 d E =0.862434E+00 curvature: 0.00 expect dE= 0.000E+00 dE for cont linesearch 0.000E+00 trial: gam= 0.00000 g(F)= 0.328E-07 g(S)= 0.831E-01 ort = 0.000E+00 (trialstep = 0.100E+01) search vector abs. value= 0.831E-01 bond charge predicted LAPACK: Routine ZPOTRF failed! 1 1 1 LAPACK: Routine ZPOTRF failed! LAPACK: Routine ZPOTRF failed! 1 1 LAPACK: LAPACK: Routine ZPOTRF f LAPACKapplication called MPI_Abort(MPI_COMM_WORLD, 1) - process 6 forrtl: error (69): process interrupted (SIGINT) Image PC Routine Line Source ld-linux-x86-64.s 0000003846E08B70 Unknown Unknown Unknown ld-linux-x86-64.s 0000003846E08F89 Unknown Unknown Unknown ld-linux-x86-64.s 0000003846E09212 Unknown Unknown Unknown ld-linux-x86-64.s 0000003846E0CD15 Unknown Unknown Unknown ld-linux-x86-64.s 0000003846E12892 Unknown Unknown Unknown vasp 0000000000D37EEB Unknown Unknown Unknown vasp 0000000000D91F65 Unknown Unknown Unknown vasp 0000000000D3131A Unknown Unknown Unknown vasp 0000000000CFD8CD Unknown Unknown Unknown vasp 000000000044C7E0 Unknown Unknown Unknown vasp 00000000005DB401 Unknown Unknown Unknown vasp 0000000000439457 Unknown Unknown Unknown vasp 0000000000407C5C Unknown Unknown Unknown libc.so.6 0000003847E1D994 Unknown Unknown Unknown vasp 0000000000407B69 Unknown Unknown Unknown forrtl: error (69): process interrupted (SIGINT) Image PC Routine Line Source libc.so.6 0000003847E6E5C2 Unknown Unknown Unknown libc.so.6 0000003847E33362 Unknown Unknown Unknown vasp 0000000000DA23E6 Unknown Unknown Unknown vasp 0000000000D91F79 Unknown Unknown Unknown vasp 0000000000D3131A Unknown Unknown Unknown vasp 0000000000CFD8CD Unknown Unknown Unknown vasp 000000000044C7E0 Unknown Unknown Unknown vasp 00000000005DB401 Unknown Unknown Unknown vasp 0000000000439457 Unknown Unknown Unknown vasp 0000000000407C5C Unknown Unknown Unknown libc.so.6 0000003847E1D994 Unknown Unknown Unknown vasp 0000000000407B69 Unknown Unknown Unknown forrtl: error (69): process interrupted (SIGINT) Image PC Routine Line Source libc.so.6 0000003847EC5FBB Unknown Unknown Unknown libc.so.6 0000003847E6BAB3 Unknown Unknown Unknown libc.so.6 0000003847E6CEF3 Unknown Unknown Unknown libc.so.6 0000003847E47F92 Unknown Unknown Unknown libc.so.6 0000003847E42A1C Unknown Unknown Unknown vasp 0000000000D37EDC Unknown Unknown Unknown vasp 0000000000D91F65 Unknown Unknown Unknown vasp 0000000000D3131A Unknown Unknown Unknown vasp 0000000000CFD8CD Unknown Unknown Unknown vasp 000000000044C7E0 Unknown Unknown Unknown vasp 00000000005DB401 Unknown Unknown Unknown vasp 0000000000439457 Unknown Unknown Unknown vasp 0000000000407C5C Unknown Unknown Unknown libc.so.6 0000003847E1D994 Unknown Unknown Unknown vasp 0000000000407B69 Unknown Unknown Unknown start time Wed Aug 12 09:37:39 CST 2015 ÎÒÖ»ÓÐÒ»¸öÔ×Ó£¬ÕâÑù½á¹ûÔõô»áËã²»³öÀ´ |
6Â¥2015-08-12 09:45:33













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