[交流] 【求助】linux下做频率计算报错，好像是内存问题。。 已有5人参与

任务是 %chk=doac-c2h2.chk %mem=8MW %nproc=1 # freq mp2/6-311+g geom=connectivity 错误提示内存不够，至少10MW 我就改成了 %chk=doac-c2h2.chk %mem=10MW %nproc=1 # freq mp2/6-311+g geom=connectivity 但还是报错，错误信息是 Disk-based method using ON**2 memory for 36 occupieds at a time. Permanent disk used for amplitudes=   136758412 words. Estimated scratch disk usage=  1050267586 words. Actual    scratch disk usage=  1045563330 words. Not enough memory for best loop length: LenScr=     3948334 LenERI=     3000000 MOrb=  36 NBasFn= 263 NDiv=   69169 NHalf=   51 MxRSFn=  16 RSMin=   51 GoodMem=    10055238 Increasing memory by up to     6106904 words may improve performance. Not enough memory to run at all:  LenERI=     3000000 Increase memory by     1265074 words. Error termination via Lnk1e in /home/program/g03/l906.exe at Sun Feb 27 12:38:13 2011. Job cpu time:  0 days  0 hours  9 minutes 44.6 seconds. File lengths (MBytes):  RWF=   9113 Int=      0 D2E=      0 Chk=     13 Scr=      1 应该怎么解决呢，已经是在linux下计算了 诚求大家帮忙解决

回复此楼