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qdc19800214木蟲 (正式寫手)
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[求助]
pwscf計算超導溫度Tc時最后一步時出現(xiàn)錯誤
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我用pw計算超導溫度最后一步時，出現(xiàn)了如下錯誤： Image PC Routine Line Source lambda.x 000000000049331D Unknown Unknown Unknown lambda.x 0000000000491E25 Unknown Unknown Unknown lambda.x 00000000004420B0 Unknown Unknown Unknown lambda.x 000000000040965F Unknown Unknown Unknown lambda.x 0000000000408E92 Unknown Unknown Unknown lambda.x 00000000004243FC Unknown Unknown Unknown lambda.x 00000000004035B9 MAIN__ 60 lambda.f90 lambda.x 00000000004034FC Unknown Unknown Unknown libc.so.6 000000394421D994 Unknown Unknown Unknown lambda.x 0000000000403409 Unknown Unknown Unknown forrtl: severe (24): end-of-file during read, unit 5, file stdin Image PC Routine Line Source lambda.x 000000000049331D Unknown Unknown Unknown lambda.x 0000000000491E25 Unknown Unknown Unknown lambda.x 00000000004420B0 Unknown Unknown Unknown lambda.x 000000000040965F Unknown Unknown Unknown lambda.x 0000000000408E92 Unknown Unknown Unknown lambda.x 00000000004243FC Unknown Unknown Unknown lambda.x 00000000004035B9 MAIN__ 60 lambda.f90 lambda.x 00000000004034FC Unknown Unknown Unknown libc.so.6 000000394421D994 Unknown Unknown Unknown lambda.x 0000000000403409 Unknown Unknown Unknown forrtl: severe (29): file not found, unit 4, file /lustre/data/diamond/qiu/PWSCF-examples/WorkFct_example/test/PWSCF/ep/elph/fort.4 請教高手，這是什么原因。怎么解決呀？ 我的全部輸入文件是這樣的： #!/bin/sh #BSUB -q vasp #BSUB -app vasp #BSUB -a intelmpi #BSUB -o %J.lsf.output #BSUB -n 12 #BSUB -R "span[ptile=12]" cat > wd.in << EOF 25 0.5 1 6 0.0000000 0.0000000 0.0000000 0.2500000 0.0000000 0.0000000 -0.1720034 0.2500000 0.1471296 -0.0575124 0.0000000 0.5000000 0.1471296 -0.0575124 -0.1720034 0.5000000 0.0000000 -0.1150248 0.0000000 0.2500000 0.0000000 -0.1150248 -0.1720034 0.2500000 elph. 0.000000. 0.000000. 0.000000 elph. 0.000000. 0.000000.-0.172003 elph. 0.000000.-0.115025. 0.000000 elph. 0.000000.-0.115025.-0.172003 elph. 0.147130.-0.057512. 0.000000 elph. 0.147130.-0.057512.-0.172003 0.13 ! \mu the Coloumb coefficient in the modified ! Allen-Dynes formula for T_c (via \omega_log) EOF mpirun -n 12 /data3/home/diamond/apps/espresso-4.2/bin/lambda.x < wd.in> wd.out 求高手指點！謝謝�。�！ |
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qdc19800214
木蟲 (正式寫手)
- 應助: 0 (幼兒園)
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- 在線: 150.8小時
- 蟲號: 1345255
- 注冊: 2011-07-14
- 性別: GG
- 專業(yè): 凝聚態(tài)物性 II ：電子結(jié)構(gòu)
2樓2016-03-24 14:25:44
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