Dear Kriti,
If you are sure that libplumed.so exists in the library path, you can try exporting the path explicitly by running:
export LD_LIBRARY_PATH=/home/23cy91f06/plumed-2.9.3/lib:$LD_LIBRARY_PATH
Then rerun cmake and make.
Hope this helps!
Best,
Yunhao Mei
> Hello Everyone,
> I have been trying to patch PLUMED-2.9.3 with amber24. For that I made
> these changes in my *run_cmake* file:
>
> # Assume this is Linux:
>
> cmake $AMBER_PREFIX/amber24_src \
> -DCMAKE_INSTALL_PREFIX=$AMBER_PREFIX/amber24 \
> -DCOMPILER=GNU -DUSE_CONDA_LIBS=TRUE \
> -DFORCE_INTERNAL_LIBS=arpack \
> -DMPI=TRUE -DCUDA=TRUE -DINSTALL_TESTS=TRUE \
> -DDOWNLOAD_MINICONDA=FALSE -DTRUST_SYSTEM_LIBS=TRUE \
> -DPLUMED_LIBRARY=/home/23cy91f06/plumed-2.9.3/lib/libplumed.so \
>
> -DPLUMED_KERNEL_LIBRARY=/home/23cy91f06/plumed-2.9.3/lib/libplumedKernel.so \
> -DPLUMED_INCLUDES=/home/23cy91f06/plumed-2.9.3/include \
> -DPLUMED_WORKS=/home/23cy91f06/plumed-2.9.3 \
> 2>&1 | tee cmake.log
>
> I have serial compilation after these changes but with cuda compilation it
> is showing error like this, which I am unable to understand:
>
> [ 96%] Linking CXX static library libpmemd_cuda_SPFP.a
> [ 96%] Built target pmemd_cuda_SPFP
> Scanning dependencies of target pmemd.cuda_SPFP
> [ 96%] Linking Fortran executable pmemd.cuda_SPFP
> /usr/bin/ld: cannot find -lplumed
> collect2: error: ld returned 1 exit status
> make[2]: *** [src/pmemd/src/pmemd.cuda_SPFP] Error 1
> make[1]: *** [src/pmemd/src/CMakeFiles/pmemd.cuda_SPFP.dir/all] Error 2
> make: *** [all] Error 2
>
> during installation of plumed as well as compilation I used these modules:
> 1) compiler/cmake/3.15.4 3) compiler/openmpi/cuda/4.1.4
> 2) compiler/cuda/11.7 4) compiler/gcc/10.2.0
>
> Your suggestions will be very helpful.
>
> Thanking You
>
> Kriti Shukla
> Research Scholar
> Department of Chemistry
> Indian Institute of Technology, Kharagpur
> India. 721302
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Received on Wed Feb 26 2025 - 19:30:02 PST
