Re: [AMBER] installation of AmberTools 21

From: David A Case <david.case.rutgers.edu>
Date: Fri, 30 Apr 2021 15:54:46 -0400

On Fri, Apr 30, 2021, Qinghua Liao wrote:
>#
>     ./run_cmake -DBUILD_QUICK=TRUE -BUILD_REAXFF_PUREMD=TRUE

The above won't work: the run_cmake script doesn't look at its command-line
arguments.

>
>I even tried to add "-DBUILD_QUICK=TRUE -BUILD_REAXFF_PUREMD=TRUE" (a
>new line after cmake) to the run_cmake,
>then I just run ./run_cmake, but it failed.

This is close, but your verbal description is again no match for showing
what you actually did, and saying "it failed" is of minimal help to others.

Here is what your cmake invocation (inside the run_cmake script) should look
like:
========================================================================
   cmake $AMBER_PREFIX/amber20_src \
     -DCMAKE_INSTALL_PREFIX=$AMBER_PREFIX/amber20 \
     -DCOMPILER=GNU \
     -DMPI=FALSE -DCUDA=FALSE -DINSTALL_TESTS=TRUE \
     -DDOWNLOAD_MINICONDA=TRUE -DMINICONDA_USE_PY3=TRUE \
     -DBUILD_QUICK=TRUE \
     2>&1 | tee cmake.log
========================================================================

See if that helps....dac


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Received on Fri Apr 30 2021 - 13:00:02 PDT
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