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[求助]
vasp 5.2 安裝后測試文件測試成功，但后面運行另一個任務(wù)時又出錯，求助�。。�
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running on 4 nodes distr: one band on 1 nodes, 4 groups vasp.5.2.12 26May11 complex POSCAR found type information on POSCAR Sm Fe O POSCAR found : 3 types and 20 ions ----------------------------------------------------------------------------- | | | ADVICE TO THIS USER RUNNING 'VASP/VAMP' (HEAR YOUR MASTER'S VOICE ...): | | | | You have a (more or less) 'large supercell' and for larger cells | | it might be more efficient to use real space projection opertators | | So try LREAL= Auto in the INCAR file. | | Mind: At the moment your POTCAR file does not contain real space | | projectors, and has to be modified, BUT if you | | want to do an extremely accurate calculation you might also keep the | | reciprocal projection scheme (i.e. LREAL=.FALSE.) | | | ----------------------------------------------------------------------------- ----------------------------------------------------------------------------- | | | ADVICE TO THIS USER RUNNING 'VASP/VAMP' (HEAR YOUR MASTER'S VOICE ...): | | | | You enforced a specific xc-type in the INCAR file, | | a different type was found on the POTCAR file | | I HOPE YOU KNOW, WHAT YOU ARE DOING | | | ----------------------------------------------------------------------------- LDA part: xc-table for Ceperly-Alder, Vosko type interpolation para-ferro POSCAR, INCAR and KPOINTS ok, starting setup FFT: planning ...( 2 ) WAVECAR not read WARNING: random wavefunctions but no delay for mixing, default for NELMDL entering main loop N E dE d eps ncg rms rms(c) [root@ocean STRUCTURE]# -------------------------------------------------------------------------- mpirun noticed that process rank 1 with PID 8080 on node ocean exited on signal 11 (Segmentation fault). -------------------------------------------------------------------------- |
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