please any suggestions
Thanking You
On Tue, Dec 12, 2023 at 1:03 PM Dulal Mondal <
babunmondal.chem.kgpian.iitkgp.ac.in> wrote:
> Thank You, sir, for your reply. After adding the line to the run cmake
> file, I showed the following error during installation. My run cmake file
> is like below.
> cmake $AMBER_PREFIX/amber22_src \
> -DCMAKE_INSTALL_PREFIX=$AMBER_PREFIX/amber22 \
> -DCOMPILER=GNU -DUSE_CONDA_LIBS=TRUE -DFORCE_INTERNAL_LIBS=arpack \
> -DMPI=FALSE -DCUDA=TRUE -DINSTALL_TESTS=TRUE
> -DFORCE_DISABLE_LIBS="plumed" \
> -DDOWNLOAD_MINICONDA=FALSE -DBUILD_QUICK=TRUE \
> 2>&1 | tee cmake.log
>
> [ 18%] Built target nlopt
> Scanning dependencies of target nlopt_python_swig_compilation
> [ 18%] Swig compile nlopt.i for python
> No such file or directory
> make[2]: ***
> [AmberTools/src/nlopt/src/swig/CMakeFiles/nlopt_python.dir/nloptPYTHON.stamp]
> Error 1
> make[2]: *** Deleting file
> `AmberTools/src/nlopt/src/swig/CMakeFiles/nlopt_python.dir/nloptPYTHON.stamp'
> make[1]: ***
> [AmberTools/src/nlopt/src/swig/CMakeFiles/nlopt_python_swig_compilation.dir/all]
> Error 2
> make: *** [all] Error 2
>
> On Tue, Dec 12, 2023 at 12:34 PM Dulal Mondal <
> babunmondal.chem.kgpian.iitkgp.ac.in> wrote:
>
>> Thank You, sir for your reply. No i do not added the following line in
>> run cmake file. (-DFORCE_DISABLE_LIBS="plumed").
>>
>> On Tue, Dec 12, 2023 at 1:58 AM David A Case <dacase1.gmail.com> wrote:
>>
>>> On Mon, Dec 11, 2023, Dulal Mondal via AMBER wrote:
>>> >
>>> >I am trying to install amber22 in Cuda. I do the following steps.
>>> >module load compiler/cuda/11.2, module load compiler/cmake/3.15.4,
>>> module
>>> >load compiler/gcc/8.3.0.
>>> >
>>> >But After compiling the run cmake file like
>>> >
>>> >./run cmake
>>> >I show the following cmake error. (After deletion of plumed)
>>>
>>> It doesn't look like you have deleted plumed. Can you add
>>> -DFORCE_DISABLE_LIBS="plumed" to your run_cmake script? That should get
>>> rid of most of the cmake errors (search for "CMake Error" in the
>>> cmake.log
>>> file.)
>>>
>>> >
>>> >My run cmake file is like the one below.
>>> >
>>> >cmake $AMBER_PREFIX/amber22_src \
>>> > -DCMAKE_INSTALL_PREFIX=$AMBER_PREFIX/amber22 \
>>> > -DCOMPILER=GNU -DUSE_CONDA_LIBS=TRUE -DFORCE_INTERNAL_LIBS=arpack \
>>> > -DMPI=FALSE -DCUDA=TRUE -DINSTALL_TESTS=TRUE \
>>> > -DDOWNLOAD_MINICONDA=FALSE -DBUILD_QUICK=TRUE \
>>> > 2>&1 | tee cmake.log
>>> >
>>>
>>> ...dac
>>>
>>>
>>
>> --
>> *With regards,*
>> *Dulal Mondal,*
>> *Research Scholar,*
>> *Department of Chemistry,*
>> *IIT Kharagpur, Kharagpur 721302.*
>>
>
>
> --
> *With regards,*
> *Dulal Mondal,*
> *Research Scholar,*
> *Department of Chemistry,*
> *IIT Kharagpur, Kharagpur 721302.*
>
--
*With regards,*
*Dulal Mondal,*
*Research Scholar,*
*Department of Chemistry,*
*IIT Kharagpur, Kharagpur 721302.*
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Received on Wed Dec 13 2023 - 01:00:02 PST
