Re: [AMBER] 转发: Amber20 install problem (Geng Dong)

From: David A Case <>
Date: Tue, 18 Aug 2020 22:28:34 -0400

On Wed, Aug 19, 2020, 东庚 wrote:

>We have problems when we install the amber20.

What OS and compiler version are you using? Is there anything unusual
about your setup? This is the first report we have seen of this nature, so
it will help to know details.

>make test.serial
>cd 2048_wat_gem && ./Run.2048_wat_nvt_gem.pmemd.gem
>At line 104 of file /home/Kai/software/amber20_src/AmberTools/src/gem.pmemd/src/nextinpcrd_section.F90
>Fortran runtime error: Bad value during floating point read

How many of the errors are from gem.pmemd? (All the ones you list are, but I
suspect that other errors must be occuring as well. Some of these might
provide clues as to what went wrong.

If you want to skip the gem.pmemd tests, edit
$AMBERHOME/AmberTools/test/, and comment out the line that
refers to gem.pmemd (should be line 21 of that file).


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Received on Tue Aug 18 2020 - 19:30:02 PDT
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