[AMBER] 答复: [ambermd.org代发]Re: 答复: Problems when installing AMBER20 on CentOS 7: multiple definition of 'cifpin'

From: 石谷沁 <guqin.shi.qilu-pharma.com>
Date: Tue, 13 Apr 2021 13:34:34 +0000

Thanks a lot for checkup from David and Tru.

So I created a symbolic link to cmake3, the "cmake" seems no longer a problem.

Then both Tru and David raised concerns on gnu versions.
     Compilers:
> -- C: GNU 10.2.0 (/usr/local/bin/gcc)
> -- CXX: GNU 10.2.0 (/usr/local/bin/g++)
> -- Fortran: GNU 4.8.5 (/usr/bin/gfortran)

Could you please specify which version should I use?
Also, it's better to keep all three installed with same version, right?

Thanks!
-Guqin


PS: actually I also tried with the old (legacy) method: ./configure gnu.
Error came out at C/fortran mixed compiling test: it cannot find -lgfortran.
I found libfortran.so.3.0.0 and libfortran.so.5.0.0 under lib64. Symbolic link with libfortran.so to aforementioned library files could solve the "not found" problem, but raised other problems like "undefined main function" at the same step.
So I think it's the problem of library version. Not sure which library it needs, tho.

But the inconsistency of GNU version might be the reason...



-----邮件原件-----
发件人: David A Case [mailto:david.case.rutgers.edu]
发送时间: 2021年4月13日 20:45
收件人: AMBER Mailing List <amber.ambermd.org>
主题: [ambermd.org代发]Re: [AMBER] 答复: Problems when installing AMBER20 on CentOS 7: multiple definition of 'cifpin'

On Tue, Apr 13, 2021, 石谷沁 wrote:
>-- Compilers:
>-- C: GNU 10.2.0 (/usr/local/bin/gcc)
>-- CXX: GNU 10.2.0 (/usr/local/bin/g++)

Ah...don't use gcc10 (for now). We are hoping to support gcc10 in AmberTools21, but it's possible that this is causing the problem.
(Actually seems unlikely to me, but we haven't tested gcc10 with AmberTools20).

....dac


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Received on Tue Apr 13 2021 - 07:00:02 PDT
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