On Sun, Nov 19, 2023, DAVIDE MURRAU wrote:
>
>We ran the build this way by modifying the "run_cmake" like this
>
> cmake $AMBER_PREFIX/amber22_src \
> -DCMAKE_INSTALL_PREFIX=$AMBER_PREFIX/amber22 \
> -DCOMPILER=GNU \
> -DMPI=FALSE -DCUDA=TRUE -DINSTALL_TESTS=TRUE \
> -DDISABLE_TOOLS="pbsa" \
> -DDOWNLOAD_MINICONDA=TRUE \
> 2>&1 | tee cmake.log
>
>generate this waring:
>-- NOT Building Tools:
>-- tcpb-cpp - BUILD_TCPB is not enabled
>-- tcpb-cpp/pytcpb - BUILD_TCPB is not enabled
>-- reaxff_puremd - BUILD_REAXFF_PUREMD is not enabled
>-- pbsa - Disabled by user
>-- sander - Its dependency pbsa is disabled.
>-- sebomd - Its dependency sander is disabled.
>-- sff - Its dependency pbsa is disabled.
>-- mm_pbsa - Its dependency sff is disabled.
>-- FEW - Its dependency mm_pbsa is disabled.
>-- pysander - Its dependency sander is disabled.
>-- nabc - Its dependency sff is disabled.
>-- gbnsr6 - Its dependency sff is disabled.
>-- sqm - Its dependency sff is disabled.
>-- quick - Its dependency sqm is disabled.
>-- mmpbsa_py - Its dependency nabc is disabled.
This is just information, not a "warning".
>
>but we received the following error when executing "make install"
>
>[ 74%] Linking C executable rism3d.snglpnt
I'm unsure why/how rism3d.snglpnt depends on pbsa. Maybe Ray or Tyler will
have ideas here.
If you want pmemd.cuda, just go to amber22_src/build and type "make
pmemd.cuda_SPFP" (or "make pmemd.cuda_DPFP", if you want that.) Generally
you can make single targets from the amber22_src/build folder, after the
"run_cmake" step.
...hope this helps...dac
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Received on Sun Nov 19 2023 - 10:30:02 PST
