Shawn T. Brown | Director | Pittsburgh Supercomputing Center | Carnegie
Mellon University | University of Pittsburgh
On Wed, Jul 28, 2021, 5:21 AM Muhammad Ayaz Anwar <ayazanwar.hotmail.com>
wrote:
> Hi,
>
> I am trying to install the AmberTools20 with C++11 support for energy
> calculation using PME on windows subsystem linux. I tried different set up
> but nothing worked.
>
> To enable the c++11 support i did:
>
> > set CMAKE_CXX_FLAGS -std=gnu++11 or set CMAKE_CXX_FLAGS -std=c++11
> > cmake .. -DCMAKE_INSTALL_PREFIX=$AMBER_PREFIX\amber20_fftw_cpp
> -DCOMPILER=GNU -DPMI=FALSE -DCUDA=FALSE -DINSTALL_TESTS=TRUE
> -DDOWNLOAD_MINICONDA=TRUE -DMINICONDA_USE_PY3=TRUE -DOPENMP=TRUE
>
> Then using CMAKE-gui,
> CMAKE_CXX_FLAGS = -std=c++11
> and used the same cmake .. command. It compiled, but cpptraj energy
> command eneded with error "pme requires compiling with fftw and c++11
> support".
>
> I dont knwo what else to do, anythoughts on how to make this work.
>
> cmake version = 3.10.0
> gcc version = 7.5.0
>
> Thank you.
>
> Aanwar
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>
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Received on Wed Jul 28 2021 - 04:30:03 PDT
