Hello David,
Thanks a lot! This time, it works if I only add -DBUILD_QUICK=TRUE to
the script run_cmake.
However, if I add both -DBUILD_QUICK=TRUE and -DBUILD_REAXFF_PUREMD=TRUE,
BUILD_REAXFF_PUREMD still could not be enabled. Here is the script:
cmake $AMBER_PREFIX/amber20_src \
-DCMAKE_INSTALL_PREFIX=$AMBER_PREFIX/amber20 \
-DCOMPILER=GNU \
-DMPI=TRUE -DCUDA=FALSE -DINSTALL_TESTS=TRUE \
-DDOWNLOAD_MINICONDA=TRUE -DMINICONDA_USE_PY3=TRUE \
-DBUILD_QUICK=TRUE \
-DBUILD_REAXFF_PUREMD=TRUE \
2>&1 | tee cmake.log
I also searched cmake.log, but the only one was saying
"BUILD_REAXFF_PUREMD is not enabled".
Any suggestions? Thanks a lot!
All the best,
Qinghua
On 4/30/21 9:54 PM, David A Case wrote:
> 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 - 17:00:02 PDT
