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xxinusa木蟲(chóng) (正式寫手)
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[求助]
VASP計(jì)算錯(cuò)誤:Stack trace terminated abnormally. 已有2人參與
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用VASP計(jì)算MoS2和C60結(jié)合的結(jié)構(gòu)優(yōu)化時(shí),出現(xiàn)以下的錯(cuò)誤,沒(méi)有OUTCAR和WAVECAR等文件輸出,VASP新手請(qǐng)教大神指點(diǎn),怎么解決!急。。! =>> PBS: job killed: walltime 720013 exceeded limit 720000 mpirun: killing job... -------------------------------------------------------------------------- mpirun noticed that process rank 0 with PID 26835 on node node0 exited on signal 0 (Unknown signal 0). -------------------------------------------------------------------------- forrtl: error (78): process killed (SIGTERM) Stack trace terminated abnormally. forrtl: error (78): process killed (SIGTERM) Stack trace terminated abnormally. forrtl: error (78): process killed (SIGTERM) Stack trace terminated abnormally. forrtl: error (78): process killed (SIGTERM) Stack trace terminated abnormally. mpirun: clean termination accomplished forrtl: error (78): process killed (SIGTERM) forrtl: error (78): process killed (SIGTERM) forrtl: error (78): process killed (SIGTERM) forrtl: error (78): process killed (SIGTERM) forrtl: error (78): process killed (SIGTERM) Stack trace terminated abnormally. forrtl: error (78): process killed (SIGTERM) Stack trace terminated abnormally. forrtl: error (78): process killed (SIGTERM) forrtl: error (78): process killed (SIGTERM) forrtl: error (78): process killed (SIGTERM) forrtl: error (78): process killed (SIGTERM) forrtl: error (78): process killed (SIGTERM) |
木蟲(chóng) (小有名氣)
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就是計(jì)算超時(shí)了,你自己提交任務(wù)時(shí)設(shè)置了walltime,或者服務(wù)器有默認(rèn)walltime設(shè)置。 發(fā)自小木蟲(chóng)IOS客戶端 |
木蟲(chóng) (正式寫手)
木蟲(chóng) (小有名氣)
捐助貴賓 (職業(yè)作家)
木蟲(chóng) (正式寫手)
木蟲(chóng) (正式寫手)
木蟲(chóng) (小有名氣)
木蟲(chóng) (正式寫手)
木蟲(chóng) (小有名氣)
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HOMO和LUMO本質(zhì)是兩個(gè)分子軌道,CBM和VBM本質(zhì)是兩條能帶。分別用于分子和半導(dǎo)體這兩種體現(xiàn)。 發(fā)自小木蟲(chóng)IOS客戶端 |
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