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ÎÒ°ÑÊäÈëÎļþ¸Ä³É£º %chk=E-c3-1p.chk %RWF=1,2gb,2,2gb,3,2gb,4,2gb,5,2gb,6,2gb,7,2gb,8,2gb,9,2gb,10,2gb,11,2gb,12,2gb, 13,2gb,14,2gb,15,2gb %nosave %mem=150MW %nproc=1 # maxdisk=30GB # ccsd(t)/aug-cc-pvdz scf=TIGHT test µÃµ½µÄoutÎļþΪ£ºÒÀÈ»±¨´í dumping /fiocom/, unit = 3 NFiles = 1 SizExt = 524288 WInBlk = 512 defal = T LstWrd = 66048 FType=2 FMxFil=10000 Number 0 Base 20480 End 66048 End1 66048 Wr Pntr 20480 Rd Pntr 20480 Length 45568 Error termination in NtrErr: NtrErr called from FIOCnC. ÔÚÍøÉϲ»ÉÙÈË˵windowsµÄ¼ÆËãÁ¿×î´óΪ16G£¬ÇëÎÊÔÚwindowsÏÂÈçºÎ½â¾öÕâ¸öÎÊÌ⣿Çë²»Òª»Ø´ð»»linuxϵͳ~~¶àл |

7Â¥2013-01-18 16:26:33
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2Â¥2013-01-17 21:29:46
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3Â¥2013-01-18 00:09:18
sdzccww
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лл£¬µ«Êǵ±ÎÒµÄÊäÈëÎļþΪ£º %chk=E-c3-5m-p-2.chk %mem=100MW %nproc=1 # ccsd/aug-cc-pvdz geom=connectivity testʱ£¬ÏµÍ³È´±¨´í£º Convergence failure -- run terminated. Error termination via Lnk1e in d:\gaussian\l502.exe at Tue Jan 17 23:58:52 2012.²»ÊÕÁ² »òÕߣº transformation cannot fit in the specified maxdisk. Error termination via Lnk1e in d:\gaussian\l804.exe at... ÎÒÊÇÐÂÊÖ£¬»¹Çë´óÏÀÖ¸µã~~¶àл¡£ |

4Â¥2013-01-18 09:42:11













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