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sp-semon金蟲 (小有名氣)
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[求助]
優(yōu)化結構finished,但是OUTCAR中沒有信息。求助。。。!
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這是INCAR: # Basic setup: SYSTEM = Cp2 # Accuracy controls: PREC = High # Use default energy cutoff for PREC # Electronic loop controls: ALGO = VeryFast # VeryFast (RMM-DIIS) EDIFF = 0.000100 NELMIN = 6 SIGMA = 0.200000 # eV # Relaxation control: IBRION = 1 ; SMASS = 0 # Quasi-Newton (RMM-DIIS) NSW = 50 POTIM = 0.400000 ISIF = 2 EDIFFG = 0.000500 # Properties: LCHARG = .TRUE. LWAVE = .TRUE. LELF = .TRUE. LVTOT = .TRUE. LVHAR = .TRUE. LREAL = .ON. 計算正常結束,但是OUTCAR中只有這些信息: vasp.5.2.2 15Apr09 complex executed on LinuxIFC date 2013.06.04 19:52:02 running on 8 nodes distr: one band on 1 nodes, 8 groups -------------------------------------------------------------------------------------------------------- INCAR: POTCAR: PAW C 31May2000 POTCAR: PAW Fe 03Mar1998 POTCAR: PAW H 06May1998 請教大蝦這是那里的問題呢? 另外多個文件都是空的,如CHG,CHGCAR。CONTCAR等~~~ |
木蟲 (正式寫手)

金蟲 (小有名氣)
金蟲 (小有名氣)
銀蟲 (小有名氣)
金蟲 (小有名氣)
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這是Info.out文件的內容: Parse 1371124731106335502.xml success! Create .job. create .job success! create .submit create_dot_submit success! Working directory is : ~/sce/workspace/8113 stage in files find: /export/lsf/perf/license/7.0: No such file or directory find: /export/lsf/perf/license/7.0: 沒有那個文件或目錄 find: /export/lsf/perf/license/7.0: No such file or directory find: /export/lsf/perf/license/7.0: 沒有那個文件或目錄 find: /export/lsf/perf/license/7.0: No such file or directory find: /export/lsf/perf/license/7.0: 沒有那個文件或目錄 stagein_files success! job_sub Job <525926> is submitted to queue <normal>. job_sub success! set fs job status to 17 Report to center server start...... Report success! set fs job status to 17 set cs job status to 18 Report to center server start...... Report success! set fs job status to 18 add stage out lock do stagingout from hpc to fs In 10.9.1.251:~/sce/workspace/8113, rm ~/.JSDL/1371124731106335502; rm Info.out; find: /export/lsf/perf/license/7.0: No such file or directory find: /export/lsf/perf/license/7.0: 沒有那個文件或目錄 stageout_files(delete tmp files) success! do staginout from fs to cs |
金蟲 (小有名氣)
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這是stdout文件內容: Sender: LSF System <lsfadmin@c0111> Subject: Job 525926: </export/home/user167/.JSDL/1371124731106335502/1371124731106335502.job> Done Job </export/home/user167/.JSDL/1371124731106335502/1371124731106335502.job> was submitted from host <console> by user <user167> in cluster <Lenovo1800>. Job was executed on host(s) <8*c0111>, in queue <normal>, as user <user167> in cluster <Lenovo1800>. </export/home/user167> was used as the home directory. </export/home/user167/sce/workspace/8113> was used as the working directory. Started at Tue Jun 4 10:45:54 2013 Results reported at Tue Jun 4 10:46:00 2013 Your job looked like: ------------------------------------------------------------ # LSBATCH: User input /export/home/user167/.JSDL/1371124731106335502/1371124731106335502.job ------------------------------------------------------------ Successfully completed. Resource usage summary: CPU time : 0.63 sec. Max Memory : 3 MB Max Swap : 31 MB Max Processes : 1 Max Threads : 1 The output (if any) follows: running on 8 nodes distr: one band on 1 nodes, 8 groups vasp.5.2.2 15Apr09 complex POSCAR found : 3 types and 211 ions Error reading item 'LREAL' from file INCAR. Error code was IERR=5 ... . Found N= 4 data. Job /export/lsf/7.0/linux2.6-glibc2.3-x86_64/bin/intelmpi_wrapper /export/home/sce/gridapp/VASP-5.2/vasp.5.2/vasp.cli TID HOST_NAME COMMAND_LINE STATUS TERMINATION_TIME ===== ========== ================ ======================= =================== 00000 c0111 /export/home/sce Done 06/04/2013 10:45:57 00001 c0111 /export/home/sce Done 06/04/2013 10:45:57 00002 c0111 /export/home/sce Done 06/04/2013 10:45:57 00003 c0111 /export/home/sce Done 06/04/2013 10:45:57 00004 c0111 /export/home/sce Done 06/04/2013 10:45:57 00005 c0111 /export/home/sce Done 06/04/2013 10:45:57 00006 c0111 /export/home/sce Done 06/04/2013 10:45:57 00007 c0111 /export/home/sce Done 06/04/2013 10:45:57 Total cpucount is:8 Total runtime is:0d0h0m6s. PS: Read file <stderr> for stderr output of this job. |
金蟲 (小有名氣)
金蟲 (小有名氣)
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