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qdc19800214木虫 (正式写手)
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[求助]
pwscf计算超导温度Tc时最后一步时出现错误
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我用pw计算超导温度最后一步时，出现了如下错误： 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 请教高手，这是什么原因。怎么解决呀？ 我的全部输入文件是这样的： #!/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 求高手指点！谢谢！！！ |
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qdc19800214
木虫 (正式写手)
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2楼2016-03-24 14:25:44