Re: [AMBER] amber 22 serial installation in local cluster.

From: Todd Minehardt via AMBER <amber.ambermd.org>
Date: Mon, 4 Dec 2023 12:36:00 -0600

Dulal,

Yes, you may continue.

As reported on the command line, the 2 test diff failures can be ignored.

Cheers,

Todd

On Mon, Dec 4, 2023 at 12:02 PM Dulal Mondal via AMBER <amber.ambermd.org>
wrote:

> Dear Experts,
>
> I am trying to install amber22 in the serial version. My run cmake file is
> like below.
>
> Assume this is Linux:
>
> cmake $AMBER_PREFIX/amber22_src \
> -DCMAKE_INSTALL_PREFIX=$AMBER_PREFIX/amber22 \
> -DCOMPILER=GNU -DUSE_CONDA_LIBS=TRUE -DFORCE_INTERNAL_LIBS=arpack \
> -DMPI=FALSE -DCUDA=FALSE -DINSTALL_TESTS=TRUE \
> -DDOWNLOAD_MINICONDA=FALSE -DBUILD_QUICK=TRUE \
> 2>&1 | tee cmake.log
> After testing, I got the following result.
>
>
> 170 file comparisons passed
> 7 file comparisons failed (2 of which can be ignored)
> 0 tests experienced errors
> Test log file saved as
> /home/21cy91r03/amber22/logs/test_amber_serial/2023-12-04_22-10-15.log
> Test diffs file saved as
> /home/21cy91r03/amber22/logs/test_amber_serial/2023-12-04_22-10-15.diff
> make[1]: *** [test] Error 1
> make[1]: Leaving directory `/home/21cy91r03/amber22/test'
>
> Summary of AmberTools serial tests:
>
> 2856 file comparisons passed
> 2 file comparisons failed (2 of which can be ignored)
> 11 tests experienced errors
> Test log file saved as
> /home/21cy91r03/amber22///logs/test_at_serial/2023-12-04_20-44-19.log
> Test diffs file saved as
> /home/21cy91r03/amber22///logs/test_at_serial/2023-12-04_20-44-19.diff
>
> I have also attached the log file. Can I continue?
> Thanking You
>
> *With regards,*
> *Dulal Mondal,*
> *Research Scholar,*
> *Department of Chemistry,*
> *IIT Kharagpur, Kharagpur 721302.*
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Dec 04 2023 - 11:00:02 PST
Custom Search