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[求助]
vasp腳本運(yùn)行問題
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#! /bin/bash rm WAVECAR for i in 3.5 3.6 3.7 3.8 3.9 4.0 4.1 4.2 4.3 ; do cat >POSCAR < fcc: $i 0.5 0.5 0.0 0.0 0.5 0.5 0.5 0.0 0.5 1 cartesian 0 0 0 ! echo "a= $i" mpirun -np 8 /usr/local/vasp.4.6/vasp > out& E=`tail -1 OSZICAR` ; echo $i $E >>SUMMARY.fcc done cat SUMMARY.fcc 運(yùn)行時出現(xiàn)下列問題,請各位大俠指教 rm: cannot remove `WAVECAR': No such file or directory a= 3.5 tail: cannot open `OSZICAR' for reading: No such file or directory a= 3.6 tail: cannot open `OSZICAR' for reading: No such file or directory a= 3.7 tail: cannot open `OSZICAR' for reading: No such file or directory a= 3.8 tail: cannot open `OSZICAR' for reading: No such file or directory a= 3.9 tail: cannot open `OSZICAR' for reading: No such file or directory a= 4.0 tail: cannot open `OSZICAR' for reading: No such file or directory a= 4.1 tail: cannot open `OSZICAR' for reading: No such file or directory a= 4.2 tail: cannot open `OSZICAR' for reading: No such file or directory a= 4.3 tail: cannot open `OSZICAR' for reading: No such file or directory 3.5 3.6 3.7 3.8 3.9 4.0 4.1 4.2 4.3 [renjie@power5506 2_1_fccSi]$ poll: protocol failure in circuit setup poll: protocol failure in circuit setup poll: protocol failure in circuit setup poll: protocol failure in circuit setup poll: protocol failure in circuit setup poll: protocol failure in circuit setup poll: protocol failure in circuit setup poll: protocol failure in circuit setup |
納米能源與計(jì)算模擬 |
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