Re: [AMBER] [ambermd.org代发]Re: AMBER20/AMBERTools21 Installation Errors when compiling mpich

From: 石谷沁 <>
Date: Thu, 6 May 2021 13:40:12 +0000

For the first try, it indeed indicated that mpich configuration succeed, although with aclocal warning.
I went back to amber20_src/build and modify the run_cmake file (turn -DMPI to TRUE)
(I also included /opt/amber20/lib into the LD_LIBRARY_PATH as indicated by the program. /opt/amber20 is installation folder)

But then I got error immediately indicating MPI is not installed, all kinds of MPI_XXX is not found, which is weird...because a successful mpich configuration under amber20_src/AmberTools/src should set all mpich module correctly...(as I can recall for the installation just a week ago..)

SO I thought maybe I should install those aclocal...

Then things go off towards another way...


发件人: David A Case []
发送时间: 2021年5月6日 20:14
收件人: AMBER Mailing List <>
主题: [ambermd.org代发]Re: [AMBER] AMBER20/AMBERTools21 Installation Errors when compiling mpich

On Thu, May 06, 2021, 石谷沁 wrote:

>Error reported that aclocal-1.15 is missing on your system…
>WARNING: 'aclocal-1.15' is missing on your system.
> You should only need it if you modified 'acinclude.m4' or
> '' or m4 files included by ''.

The message indicates that this is just a warning, not an error. You should not need aclocal to install mpich. What happens if you just ignore the warning?


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Received on Thu May 06 2021 - 07:00:02 PDT
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