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[ÇóÖú] ¹ØÓÚdmol3ÖеÄTS searchÈÎÎñʧ°Ü--Çó¸ßÊÖÖ¸µã

ÎÒÔÚÓÃdmol3Ä£¿éÖеÄTS search½øÐйý¶É̬ËÑË÷ʱ£¬ÓÐÒ»¸öËÑË÷ÈÎÎñʧ°Ü£¬²»ÖªµÀÊÇʲôԭÒò£¬Çë¸ßÊÖÖ¸µãÒ»¶þ£¬²»Ê¤¸Ð¼¤¡£outmolÎļþµÄһЩÄÚÈÝÈçÏ£¬ÆäËûµÄÐÅÏ¢ÎÒ²»ÖªµÀ¸Ã¼Óʲô£¬Èç¹ûÐèÒªµÄ»°ÔÚÌû×ÓÖÐÌá³öÀ´ÎÒ»á¼ÓÉÏÈ¥µÄ¡£PS£ºoutmolÎļþÀïµÄÕâЩ¶«Î÷˵Ã÷ÁËʲô£¿
Prot -  All Intra-node communication is: SHM

Checked out license feature: MS_dmol_MP [for msi] (1 copy)

Checked out license feature: MS_dsolid_MP [for msi] (1 copy)

forrtl: severe (64): input conversion error, unit 26, file /tmp/d72423031718/F_flat_re-F_flat_mid1.grad
Image              PC                Routine            Line        Source            
dmol3_mpi.exe      0000000001174D41  Unknown               Unknown  Unknown
dmol3_mpi.exe      0000000001173D15  Unknown               Unknown  Unknown
dmol3_mpi.exe      00000000010C552A  Unknown               Unknown  Unknown
dmol3_mpi.exe      000000000106FEA5  Unknown               Unknown  Unknown
dmol3_mpi.exe      000000000106F69A  Unknown               Unknown  Unknown
dmol3_mpi.exe      000000000109DED6  Unknown               Unknown  Unknown
dmol3_mpi.exe      000000000109B2E7  Unknown               Unknown  Unknown
dmol3_mpi.exe      00000000004410F2  Unknown               Unknown  Unknown
dmol3_mpi.exe      00000000004D2D73  Unknown               Unknown  Unknown
dmol3_mpi.exe      0000000000834BB9  Unknown               Unknown  Unknown
dmol3_mpi.exe      00000000004D4B37  Unknown               Unknown  Unknown
dmol3_mpi.exe      00000000004B87AF  Unknown               Unknown  Unknown
dmol3_mpi.exe      00000000004107EB  Unknown               Unknown  Unknown
dmol3_mpi.exe      000000000041056C  Unknown               Unknown  Unknown
libc.so.6          000000330FE1C3FB  Unknown               Unknown  Unknown
dmol3_mpi.exe      000000000041049A  Unknown               Unknown  Unknown
MPI Application rank 1 exited before MPI_Finalize() with status 64

DMol3.pl message: DMol3 job finished in 23 hr 22 min 33 sec.
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