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标题:
Gaussrate安装报错
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作者Author:
sjw123
时间:
2024-12-2 16:10
标题:
Gaussrate安装报错
各位老师,大家好,我在安装Gaussrate的时候遇到了一些Warnings, 导致最后Gaussrate里的例子运行报错,请问老师们有了解怎么解决这个问题的吗,感谢!
[lhh3377@ln02 gaussrate17-B]$ FC=ifort ./configure
Welcome to GAUSSRATE!
... installing
Is this installation for RP-VTST or VRC-VTST?
[ Choose 'RP' or 'VRC' ]: rp
.... creating Makefile
.... done with Makefile
hooks_gr.F:23.39:
if (irest.eq.1) call grest(irout,dummy)
1
Warning: Rank mismatch in argument 'fmat' at (1) (rank-2 and scalar)
hooks_gr.F:79.27:
call grest(irout,dummy)
1
Warning: Rank mismatch in argument 'fmat' at (1) (rank-2 and scalar)
hooks_gr.F:109.39:
if (irest.eq.1) call grest(irout,dummy)
1
Warning: Rank mismatch in argument 'fmat' at (1) (rank-2 and scalar)
hooks_gr.F:161.27:
call grest(irout,dummy)
1
Warning: Rank mismatch in argument 'fmat' at (1) (rank-2 and scalar)
hooks_gr.F:214.39:
if (irest.eq.1) call grest(irout,dummy)
1
Warning: Rank mismatch in argument 'fmat' at (1) (rank-2 and scalar)
hooks_gr.F:317.27:
call grest(irout,dummy)
1
Warning: Rank mismatch in argument 'fmat' at (1) (rank-2 and scalar)
---- GAUSSRATE INSTALLATION COMPLETE ----
Have a nice day! :)
作者Author:
sjw123
时间:
2024-12-3 11:34
这个问题已被解决,就是编译器不兼容的问题,只要采用intel的编译器,对Polyrate和Gaussrate两个程序进行编译即可!
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