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最近需要安装SHARC在linux系统上,下载和安装都是官网上的,但是安装完成后执行测试案例,报错内容:
#########################Full input#########################
interfaces set(['scripts'])
otherenvs set([])
pwd /home/ljm/test_tmp/sharc_tmp
joblist ['scripts_wigner']
SCRADIR /home/ljm/test_tmp/sharc_tmp
sharc /home/ljm/software/sharc-master/bin
Do you want to setup the specified calculations? [True]
================================================================================
|| Running test jobs... ||
================================================================================
/home/ljm/test_tmp/sharc_tmp/RUNNING_TESTS/scripts_wigner *** OVERWRITTEN ***
/home/ljm/software/sharc-master/bin/../tests/INPUT/scripts_wigner
2023-03-18 13:33:06.427601 2023-03-18 13:33:06.432269 Runtime: 0:00:00.004668 Error Code: 2
================================================================================
|| Test job analysis ||
================================================================================
-----------------------scripts_wigner-----------------------
Job did not finish successfully. Error code: 2
================================================================================
|| Summary ||
================================================================================
scripts_wigner Job did not finish
查看测试文件的run.err内容为:
At line 42 of file sh.f90 (unit = 1, file = '??')
Fortran runtime error: File 'sh.inp' does not exist
安装流程参照官网(Manual | SHARC2.1 (sharc-md.org))的Compiling and installing (without pysharc) 。
环境设置无论是自己写入~/.bashrc还是用sharcvars.sh都会出现同样的问题。
恳请大佬指教,谢谢!!
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