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schalke

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[求助] Molecular Operating Environment 2008.10 如何配置多处理器运算？

最近一直使用MOE2008进行构象搜索，但每次无法使用多处理器MOE/smp进行运算，查找教程上给出的配置方法如下，我的系统是RHEL5，我在命令行输入两行命令或在环境变量中输入两行命令，结果仍然为单核计算，请问如何配置才能有效进行多处理器运算构象搜索？？？

Using MOE/smp on a Multiprocessor Workstation

To use MOE/smp on a multiprocessor workstation, define an environment variable named MOE. The value of this environment variable must be set to the path of the MOE installation directory on the machine. It is used by newly created MOE processes to locate all the files distributed with MOE.

The following command can be used to start MOE/smp:

On UNIX systems (assuming the MOE root directory to be /usr/local/moe):

smp_user% setenv MOE /usr/local/moe
smp_user% $MOE/bin/moe -mpu 2

On Macintosh and some Linux systems (assuming the MOE root directory to be /usr/local/moe):

smp_user% export MOE=/usr/local/moe
smp_user% $MOE/bin/moe -mpu 2

On Windows systems (assuming the MOE root directory to be c:\moe):

c:\> set MOE=c:\moe
c:\> %MOE%\bin\moe -mpu 2

In the commands above we specify a cluster of size 2 by using the -mpu 2 command line switch. Replace 2 by the number of processors available in your workstation.

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