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xyz1992新蟲(chóng) (初入文壇)
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[求助]
MUSIC中GCMC運(yùn)算出現(xiàn)錯(cuò)誤gcmc.F90: 640 ERROR: rms ,,,, 已有1人參與
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在用MUSIC做GCMC運(yùn)算的時(shí)候 出現(xiàn)問(wèn)題 gcmc.F90: 640 ERROR: rms deviation between stored and fresh energies is greater than 0.01 kJ/mol at 114.641 而且在運(yùn)算的log文件中中沒(méi)有發(fā)現(xiàn)運(yùn)算結(jié)束提示如Ending GCMC simulation number 1 Nrg dev check: 0.154E-09 Ethane: P (kPa): 1539.0 loading (molec/uc): 135.2 ------------------------------------------------------------ music.F90 : 297 Main Program Time: 9.4013 hrs Number of calls: 1 Time per call: 9.4013 hrs 求解 |
新蟲(chóng) (初入文壇)
銀蟲(chóng) (小有名氣)
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