Thank you Hector!
so the difference that in your cmake script another compiler is used
-DCOMPILER=INTEL \
and I also don't see these two extra options in your file :
set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -fPIC")
set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -fPIC")
Could you please clarify this (.sorry this is my first compilation..)?
Il giorno mar 24 set 2024 alle ore 17:23 Hector A. Baldoni <
hbaldoni.unsl.edu.ar> ha scritto:
> El 2024-09-24 12:09, Enrico Martinez escribió:
> > Hello Hector,
> >
> > Thank you very much for your kind message !
> >
> > so I need firstly clean the wrong installation using the ./clean_build
> > script and then modify the run_cmake ?
> >
>
> Yes.
>
> > This is also the run_cmake script (for linux section):
> >
> > # Assume this is Linux:
> >
> > cmake $AMBER_PREFIX/amber24_src \
> > -DCMAKE_INSTALL_PREFIX=$AMBER_PREFIX/amber24 \
> > -DCOMPILER=GNU \
> > -DMPI=FALSE -DCUDA=TRUE -DINSTALL_TESTS=TRUE \
> > -DDOWNLOAD_MINICONDA=TRUE \
> > 2>&1 | tee cmake.log
> >
> > fi
> >
>
> # Assume this is Linux:
>
> set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -fPIC")
> set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -fPIC")
> cmake $AMBER_PREFIX/amber22_src \
> -DCMAKE_INSTALL_PREFIX=/home/invitado/amber22 \
> -DCOMPILER=INTEL \
> -DMPI=FALSE -DCUDA=TRUE -DINSTALL_TESTS=TRUE \
> -DDOWNLOAD_MINICONDA=TRUE \
> -DBUILD_QUICK=TRUE
> 2>&1 | tee cmake.log
>
> fi
> #...
>
> Greeting,
> Hector.
>
> --
> --------------------------------------
> Dr Hector A. Baldoni
> Professor (FQByF - UNSL)
> Adjunct Researcher (IMIBIO-SL - CONICET)
> Department of General and Inorganic Chemistry
> National University of San Luis
> Ejercito de los Andes 950 (D5700HHW)
> San Luis - Argentina
> hbaldoni at unsl dot edu dot ar
> Tel.: +54-(0)266-4520300 ext. 6157
> --------------------------------------
>
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Received on Tue Sep 24 2024 - 09:00:02 PDT
