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yuwenxianglong铁杆木虫 (正式写手)
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[交流]
【求助】Linux下如何启动Material Studio?
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在Ubuntu 9.04下安装了Material Studio 4.4,拷贝好lic文件,进入安装目录,没发现有类似MatStudio类似的可执行文件,按论坛上某位达人的方法,进入/home/Accelrys/MaterialsStudio44/etc/CASTEP/bin/目录,执行bash RunCASTEP.sh -np 2,(注:双核处理器),出现以下错误: eval: 1: cannot: not found Instructions for using RunCastep scripts ======================================== NAME RunCastep.sh or RunCastep.bat DESCRIPTION RunCastep script runs CASTEP as a standalone program in serial or parallel mode. RunCastep.sh is provided for LINUX servers, while RunCastep.bat is provided for Windows servers. Typical usage: RunCastep.sh [-h] [-np or RunCastep [-h] [-np RUN OPTIONS -h - displays the help text -np - run in parallel on "number of processors" Serial version of CASTEP is executed when the -np option is missing. If the -np value is 1, then parallel CASTEP is executed on one CPU. ARGUMENTS basename1 - name of the CASTEP job. Input is read from "basename1".param etc., and output is written to "basename1".castep basename2, basename3, .. Additional calculations can be started upon successful completion of the first one, as continuation runs. input check file for each subsequent calculation is copied from the output from the previous run. 求各位高人指教,不胜感激! |

2楼2009-05-09 12:11:15
yuwenxianglong
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3楼2009-05-09 12:45:35
wangtingyun
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4楼2009-11-12 12:13:02
tjyl
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5楼2009-11-12 15:05:30
yjmaxpayne
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6楼2009-11-12 19:06:20













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