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xiaojun2010

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专业: 电化学

[求助] 安装g03出错

先多谢啦

64位机器上先安装 g03c02-ia64-linux, CentOS 6 系统
设置vi /root/.bashrc
添加# Gaussian03
g03root=/home/tt34/g03
GAUSS_EXEDIR=$g03root
GAUSS_SCRDIR=$g03root/scratch
LD_LIBRARY_PATH=$g03root/:$LD_LIBRARY_PATH
PATH=$g03root/:$PATH
export g03root GAUSS_EXEDIR GAUSS_SCRDIR LD_LIBRARY_PATH PATH
source $g03root/bsd/g03.profile
source .bashrc之后运行 g03 $g03root/tests/com/test000.com test000.out

得到
Entering Gaussian System, Link 0=g03
forrtl: No such file or directory
forrtl: severe (29): file not found, unit 11, file /home/tt34/g03/scratch/Gau-3808.inp
Image             PC             Routine          Line       Source
g03             00000000004AED6E  Unknown             Unknown  Unknown
g03             00000000004ADF6A  Unknown             Unknown  Unknown
g03             00000000004446AA  Unknown             Unknown  Unknown
g03             0000000000418E6A  Unknown             Unknown  Unknown
g03             0000000000418476  Unknown             Unknown  Unknown
g03             000000000042BB8E  Unknown             Unknown  Unknown
g03             0000000000405C29  Unknown             Unknown  Unknown
g03             0000000000404C02  Unknown             Unknown  Unknown
libc.so.6       0000003989A1EC5D  Unknown             Unknown  Unknown
g03             0000000000404B29  Unknown             Unknown  Unknown

然后又试了g03e01-em64t-for_linux.tar，这次没有改动bashrc，退出terminal重新进入
运行g03 $g03root/tests/com/test000.com test000.out
出错
No executable for file l1.exe.
Search path GAUSS_EXEDIR is "/home/tt43/g03/g03/bsd:/home/tt43/g03/g03/private:/home/tt43/g03/g03"
: Not a directory
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image             PC             Routine          Line       Source
libc.so.6       0000003989A32C87  Unknown             Unknown  Unknown
g03             0000000000407099  Unknown             Unknown  Unknown
g03             0000000000408A20  Unknown             Unknown  Unknown
g03             0000000000406168  Unknown             Unknown  Unknown
g03             0000000000404C02  Unknown             Unknown  Unknown
libc.so.6       0000003989A1EC5D  Unknown             Unknown  Unknown
g03             0000000000404B29  Unknown             Unknown  Unknown

[ Last edited by xiaojun2010 on 2011-10-22 at 16:38 ]

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