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jixiao0526金蟲 (小有名氣)
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[求助]
計算neb出錯,請高手幫忙看看
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Error reading item 'IMAGES' from file INCAR. Error reading item 'IMAGES' from file INCAR. Error reading item 'IMAGES' from file INCAR. Error reading item 'IMAGES' from file INCAR. Error reading item 'IMAGES' from file INCAR. Error reading item 'IMAGES' from file INCAR. Error reading item 'IMAGES' from file INCAR. Error reading item 'IMAGES' from file INCAR. Error reading item 'IMAGES' from file INCAR. Error reading item 'IMAGES' from file INCAR. Error reading item 'IMAGES' from file INCAR. Error reading item 'IMAGES' from file INCAR. Error reading item 'IMAGES' from file INCAR. Error reading item 'IMAGES' from file INCAR. Error reading item 'IMAGES' from file INCAR. Error reading item 'IMAGES' from file INCAR. |
金蟲 (小有名氣)
金蟲 (小有名氣)
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這是任務(wù)提交文件 #!/bin/bash #PBS -N 2-O #PBS -o vasp.out #PBS -e vasp.err #PBS -q dftsoft #PBS -l nodes=2:ppn=8 np=`wc -l <$PBS_NODEFILE` cat $PBS_NODEFILE /home/dftsoft/vasp_build/mpich2-1.3.1/bin/mpirun -machinefile $PBS_NODEFILE -np $np /home/dftsoft/vasp_build/vasp.5.2/vasp_gobals_ifort |
金蟲 (小有名氣)
金蟲 (小有名氣)
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