Thank you Christoph for your advice. I cannot recompile the Gromacs which
has been installed by the admin on my cluster.
Therefore, I took the 2nd option , i.e using the -DBUILD_OWN_GROMACS=ON
command.
Furthermore, I go onto use the make -j5 command which gives the following
error -
*See also
"/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeOutput.log".*
*See also
"/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeError.log".*
*make[2]: *** [gromacs/src/Gromacs_build-stamp/Gromacs_build-configure]
Error 1*
*make[1]: *** [CMakeFiles/Gromacs_build.dir/all] Error 2*
*make[1]: *** Waiting for unfinished jobs....*
*Current git revision is 46cee32*
*Current git revision is 46cee32*
*[ 7%] Built target gitversion*
*[ 7%] Built target gitversion-csg*
I have attached the cmake error file found the above mentioned directory.
I am guessing there is some issue with gromacs compiling using the make -j5
command. Please help me with the above.
Secondly, since I cannot get Votca to work on the cluster, I am using it to
work on my laptop. I have a small 200 peptide system.
My question - if I get the "*gromacs is not able to interpolate between
tabulated values*" , is there anything more I can try and change other than
the
following
1. Timer per iteration ( 100ps)
2. Time Step (0.001 ps)
3. Thread (1)
Thank you so much for your help and support.
Kind Regards,
Akash
On Mon, Jan 14, 2019 at 11:35 PM Christoph Junghans <jungh...@votca.org>
wrote:
> On Mon, Jan 14, 2019 at 6:05 PM Akash Banerjee <akashn...@gmail.com>
> wrote:
> >
> > Hi Christoph,
> >
> > On Tue, Jan 8, 2019 at 4:34 PM Akash Banerjee <akashn...@gmail.com>
> wrote:
> > >
> > > Hi Christoph,
> > > Thank you for your response.
> > >
> > > On Tue, Jan 8, 2019 at 2:30 PM Akash Banerjee <akashn...@gmail.com>
> wrote:
> > > >
> > > > Hi Christoph and other Votca developers,
> > > >
> > > > I am getting the errror-
> > > >
> > > > Error in `csg_stat': double free or corruption
> > > >
> > > > after 13 iterations. I understand that this error may occur due to
> wrong naming. However, csg_stat managed to map my system for 13 iterations
> and then went on to fail.
> > >
> > > Which version of VOTCA is this? Can you try the latest development
> > > version instead?
> > >
> > > I used the build.sh script on the website. The version is 1.5-dev
> gitid: 648021c. I had recently built it on my cluster. Should I built is
> again using the same build.sh command?
> > >
> > > build.sh is obsolete, please use the new build system
> > > (
> https://github.com/votca/votca/blob/master/share/doc/INSTALL.md#general-source-installation-instructions
> )
> > > instead! We made some fixes in csg_stat recently, so you could try a
> > > more recent version of csg if you want
> >
> > I rebuilt votca as per the instructions given above in my cluster (
> stampede2.tacc.utexas.edu). I am stuck at the make-j5 command.
> >
> > The error on screen is as follows-
> >
> >
> > collect2: error: ld returned 1 exit status
> > make[2]: *** [tools/src/tools/votca_property] Error 1
> > make[1]: *** [tools/src/tools/CMakeFiles/votca_property.dir/all] Error 2
> > make[1]: *** Waiting for unfinished jobs....
> > [ 28%] Linking CXX shared library libvotca_csg.so
> > /opt/apps/gcc/5.4.0/bin/ld:
> /opt/apps/intel17/impi17_0/gromacs/2016.4/lib64/libgromacs.a(baseversion.cpp.o):
> relocation R_X86_64_32 against `_gmx_ver_string' can not be used when
> making a shared object; recompile with -fPIC
> > /opt/apps/intel17/impi17_0/gromacs/2016.4/lib64/libgromacs.a: error
> adding symbols: Bad value
> > collect2: error: ld returned 1 exit status
> > make[2]: *** [csg/src/libcsg/libvotca_csg.so.5] Error 1
> > make[1]: *** [csg/src/libcsg/CMakeFiles/votca_csg.dir/all] Error 2
> >
> >
> > I tried recompiling using the -fPIG tag in the cmake command. It made no
> difference.
> Well, you have to recompile gromacs with -fPIC, meaning as a shared
> library.
>
> Alternatively, you can build you gromacs inside VOTCA using
> -DBUILD_OWN_GROMACS=ON.
>
> Christoph
> >
> > Please advice me on what I can do. Thank you so much for your help!
> >
> > Kind Regards,
> > Akash
> >
> >
> > On Wed, Jan 9, 2019 at 3:48 PM Akash Banerjee <akashn...@gmail.com>
> wrote:
> >>
> >> Sure, I will have a look at it and let you know.
> >>
> >> Thanks Christoph.
> >>
> >> On Wed, Jan 9, 2019 at 3:08 PM Christoph Junghans <jungh...@votca.org>
> wrote:
> >>>
> >>> On Wed, Jan 9, 2019 at 8:36 AM Akash Banerjee <akashn...@gmail.com>
> wrote:
> >>> >
> >>> > Thank you so much for your responses. I will do as you suggested.
> >>> Also if the problem stays reproducible, could you open an issue here:
> >>> https://github.com/votca/csg/issues and attach the input files.
> >>>
> >>> Christoph
> >>>
> >>> >
> >>> > Kind regards,
> >>> > Akash
> >>> >
> >>> > On Tue, Jan 8, 2019 at 7:56 PM Christoph Junghans <
> jungh...@votca.org> wrote:
> >>> >>
> >>> >> On Tue, Jan 8, 2019 at 4:34 PM Akash Banerjee <akashn...@gmail.com>
> wrote:
> >>> >> >
> >>> >> > Hi Christoph,
> >>> >> > Thank you for your response.
> >>> >> >
> >>> >> > On Tue, Jan 8, 2019 at 2:30 PM Akash Banerjee <
> akashn...@gmail.com> wrote:
> >>> >> > >
> >>> >> > > Hi Christoph and other Votca developers,
> >>> >> > >
> >>> >> > > I am getting the errror-
> >>> >> > >
> >>> >> > > Error in `csg_stat': double free or corruption
> >>> >> > >
> >>> >> > > after 13 iterations. I understand that this error may occur due
> to wrong naming. However, csg_stat managed to map my system for 13
> iterations and then went on to fail.
> >>> >> >
> >>> >> > Which version of VOTCA is this? Can you try the latest development
> >>> >> > version instead?
> >>> >> >
> >>> >> > I used the build.sh script on the website. The version is
> 1.5-dev gitid: 648021c. I had recently built it on my cluster. Should I
> built is again using the same build.sh command?
> >>> >> >
> >>> >> build.sh is obsolete, please use the new build system
> >>> >> (
> https://github.com/votca/votca/blob/master/share/doc/INSTALL.md#general-source-installation-instructions
> )
> >>> >> instead! We made some fixes in csg_stat recently, so you could try a
> >>> >> more recent version of csg if you want.
> >>> >>
> >>> >> >
> >>> >> > > Also, I have another questions, please have a look at your
> convenience.
> >>> >> > >
> >>> >> > > I have run another system for 73 iterations and the values
> in the bonded potential table (table_b1.xvg) is nearly the same as the 1st
> iteration. I suspect that I am doing something wrong.
> >>> >> > > I have plotted the potential and attached it to this post
> with the name potential_73th_iteration. I increased my simulation time for
> each iteration from 100 ps to 1 ns. This change didnt make any
> >>> >> > > difference to the potentials.
> >>> >> > You need to zoom in around 0.5 to see any changes as the changes
> only
> >>> >> > happen around the minimum
> >>> >> >
> >>> >> > I got it. Should I be expecting negative values as a sign of
> accuracy? (I am picturing a Lenard Jones Plot with a well depth)
> >>> >> Well, VOTCA shifts the potential, so that the minimum is at zero. So
> >>> >> you will have to determine the delta from a local maximum or so.
> >>> >>
> >>> >> Christoph
> >>> >> >
> >>> >> > Thank you again for your responses.
> >>> >> >
> >>> >> > On Tue, Jan 8, 2019 at 6:20 PM Christoph Junghans <
> jungh...@votca.org> wrote:
> >>> >> >>
> >>> >> >> On Tue, Jan 8, 2019 at 2:30 PM Akash Banerjee <
> akashn...@gmail.com> wrote:
> >>> >> >> >
> >>> >> >> > Hi Christoph and other Votca developers,
> >>> >> >> >
> >>> >> >> > I am getting the errror-
> >>> >> >> >
> >>> >> >> > Error in `csg_stat': double free or corruption
> >>> >> >> >
> >>> >> >> > after 13 iterations. I understand that this error may occur
> due to wrong naming. However, csg_stat managed to map my system for 13
> iterations and then went on to fail.
> >>> >> >>
> >>> >> >> Which version of VOTCA is this? Can you try the latest
> development
> >>> >> >> version instead?
> >>> >> >> >
> >>> >> >> > Please help me on the above.
> >>> >> >> >
> >>> >> >> > Also, I have another questions, please have a look at your
> convenience.
> >>> >> >> >
> >>> >> >> > I have run another system for 73 iterations and the values
> in the bonded potential table (table_b1.xvg) is nearly the same as the 1st
> iteration. I suspect that I am doing something wrong.
> >>> >> >> > I have plotted the potential and attached it to this post
> with the name potential_73th_iteration. I increased my simulation time for
> each iteration from 100 ps to 1 ns. This change didnt make any
> >>> >> >> > difference to the potentials.
> >>> >> >> You need to zoom in around 0.5 to see any changes as the changes
> only
> >>> >> >> happen around the minimum.
> >>> >> >>
> >>> >> >> Christoph
> >>> >> >>
> >>> >> >> >
> >>> >> >> >
> >>> >> >> > Thank you for your help!
> >>> >> >> >
> >>> >> >> > Kind regards,
> >>> >> >> > Akash
> >>> >> >> >
> >>> >> >> >
> >>> >> >> > --
> >>> >> >> > You received this message because you are subscribed to the
> Google Groups "votca" group.
> >>> >> >> > To unsubscribe from this group and stop receiving emails from
> it, send an email to votca+unsubscr...@googlegroups.com.
> >>> >> >> > To post to this group, send email to votca@googlegroups.com.
> >>> >> >> > Visit this group at https://groups.google.com/group/votca.
> >>> >> >> > For more options, visit https://groups.google.com/d/optout.
> >>> >> >>
> >>> >> >>
> >>> >> >>
> >>> >> >> --
> >>> >> >> Christoph Junghans
> >>> >> >> Web: http://www.compphys.de
> >>> >> >>
> >>> >> >> --
> >>> >> >> You received this message because you are subscribed to the
> Google Groups "votca" group.
> >>> >> >> To unsubscribe from this group and stop receiving emails from
> it, send an email to votca+unsubscr...@googlegroups.com.
> >>> >> >> To post to this group, send email to votca@googlegroups.com.
> >>> >> >> Visit this group at https://groups.google.com/group/votca.
> >>> >> >> For more options, visit https://groups.google.com/d/optout.
> >>> >> >
> >>> >> >
> >>> >> >
> >>> >> > --
> >>> >> > akash
> >>> >> >
> >>> >> > --
> >>> >> > You received this message because you are subscribed to the
> Google Groups "votca" group.
> >>> >> > To unsubscribe from this group and stop receiving emails from it,
> send an email to votca+unsubscr...@googlegroups.com.
> >>> >> > To post to this group, send email to votca@googlegroups.com.
> >>> >> > Visit this group at https://groups.google.com/group/votca.
> >>> >> > For more options, visit https://groups.google.com/d/optout.
> >>> >>
> >>> >>
> >>> >>
> >>> >> --
> >>> >> Christoph Junghans
> >>> >> Web: http://www.compphys.de
> >>> >>
> >>> >> --
> >>> >> You received this message because you are subscribed to the Google
> Groups "votca" group.
> >>> >> To unsubscribe from this group and stop receiving emails from it,
> send an email to votca+unsubscr...@googlegroups.com.
> >>> >> To post to this group, send email to votca@googlegroups.com.
> >>> >> Visit this group at https://groups.google.com/group/votca.
> >>> >> For more options, visit https://groups.google.com/d/optout.
> >>> >
> >>> >
> >>> >
> >>> > --
> >>> > akash
> >>> >
> >>> > --
> >>> > You received this message because you are subscribed to the Google
> Groups "votca" group.
> >>> > To unsubscribe from this group and stop receiving emails from it,
> send an email to votca+unsubscr...@googlegroups.com.
> >>> > To post to this group, send email to votca@googlegroups.com.
> >>> > Visit this group at https://groups.google.com/group/votca.
> >>> > For more options, visit https://groups.google.com/d/optout.
> >>>
> >>>
> >>>
> >>> --
> >>> Christoph Junghans
> >>> Web: http://www.compphys.de
> >>>
> >>> --
> >>> You received this message because you are subscribed to the Google
> Groups "votca" group.
> >>> To unsubscribe from this group and stop receiving emails from it, send
> an email to votca+unsubscr...@googlegroups.com.
> >>> To post to this group, send email to votca@googlegroups.com.
> >>> Visit this group at https://groups.google.com/group/votca.
> >>> For more options, visit https://groups.google.com/d/optout.
> >>
> >>
> >>
> >> --
> >> akash
> >
> >
> >
> > --
> > akash
> >
> > --
> > You received this message because you are subscribed to the Google
> Groups "votca" group.
> > To unsubscribe from this group and stop receiving emails from it, send
> an email to votca+unsubscr...@googlegroups.com.
> > To post to this group, send email to votca@googlegroups.com.
> > Visit this group at https://groups.google.com/group/votca.
> > For more options, visit https://groups.google.com/d/optout.
>
>
>
> --
> Christoph Junghans
> Web: http://www.compphys.de
>
> --
> You received this message because you are subscribed to the Google Groups
> "votca" group.
> To unsubscribe from this group and stop receiving emails from it, send an
> email to votca+unsubscr...@googlegroups.com.
> To post to this group, send email to votca@googlegroups.com.
> Visit this group at https://groups.google.com/group/votca.
> For more options, visit https://groups.google.com/d/optout.
>
--
akash
--
You received this message because you are subscribed to the Google Groups
"votca" group.
To unsubscribe from this group and stop receiving emails from it, send an email
to votca+unsubscr...@googlegroups.com.
To post to this group, send email to votca@googlegroups.com.
Visit this group at https://groups.google.com/group/votca.
For more options, visit https://groups.google.com/d/optout.
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gmake[3]: Entering directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
/bin/gmake -f CMakeFiles/cmTC_38772.dir/build.make CMakeFiles/cmTC_38772.dir/build
gmake[4]: Entering directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
Building CXX object CMakeFiles/cmTC_38772.dir/CheckSymbolExists.cxx.o
/bin/c++ -std=c++11 -o CMakeFiles/cmTC_38772.dir/CheckSymbolExists.cxx.o -c /scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/CheckSymbolExists.cxx
/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/CheckSymbolExists.cxx:2:16: fatal error: io.h: No such file or directory
#include <io.h>
^
compilation terminated.
gmake[4]: *** [CMakeFiles/cmTC_38772.dir/CheckSymbolExists.cxx.o] Error 1
gmake[4]: Leaving directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
gmake[3]: *** [cmTC_38772/fast] Error 2
gmake[3]: Leaving directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
File /scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/CheckSymbolExists.cxx:
/* */
#include <io.h>
int main(int argc, char** argv)
{
(void)argv;
#ifndef _commit
return ((int*)(&_commit))[argc];
#else
(void)argc;
return 0;
#endif
}
Determining if the memalign exist failed with the following output:
Change Dir: /scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp
Run Build Command:"/bin/gmake" "cmTC_6071b/fast"
gmake[3]: Entering directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
/bin/gmake -f CMakeFiles/cmTC_6071b.dir/build.make CMakeFiles/cmTC_6071b.dir/build
gmake[4]: Entering directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
Building CXX object CMakeFiles/cmTC_6071b.dir/CheckSymbolExists.cxx.o
/bin/c++ -std=c++11 -o CMakeFiles/cmTC_6071b.dir/CheckSymbolExists.cxx.o -c /scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/CheckSymbolExists.cxx
/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/CheckSymbolExists.cxx: In function ‘int main(int, char**)’:
/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/CheckSymbolExists.cxx:8:19: error: ‘memalign’ was not declared in this scope
return ((int*)(&memalign))[argc];
^
gmake[4]: *** [CMakeFiles/cmTC_6071b.dir/CheckSymbolExists.cxx.o] Error 1
gmake[4]: Leaving directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
gmake[3]: *** [cmTC_6071b/fast] Error 2
gmake[3]: Leaving directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
File /scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/CheckSymbolExists.cxx:
/* */
#include <stdlib.h>
int main(int argc, char** argv)
{
(void)argv;
#ifndef memalign
return ((int*)(&memalign))[argc];
#else
(void)argc;
return 0;
#endif
}
Performing C SOURCE FILE Test C_xCORE_AVX512_qopt_zmm_usage_high_FLAG_ACCEPTED failed with the following output:
Change Dir: /scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp
Run Build Command:"/bin/gmake" "cmTC_19288/fast"
gmake[3]: Entering directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
/bin/gmake -f CMakeFiles/cmTC_19288.dir/build.make CMakeFiles/cmTC_19288.dir/build
gmake[4]: Entering directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
Building C object CMakeFiles/cmTC_19288.dir/src.c.o
/bin/cc -DC_xCORE_AVX512_qopt_zmm_usage_high_FLAG_ACCEPTED -xCORE-AVX512 -qopt-zmm-usage=high -o CMakeFiles/cmTC_19288.dir/src.c.o -c /scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/src.c
cc: error: unrecognized command line option ‘-qopt-zmm-usage=high’
gmake[4]: *** [CMakeFiles/cmTC_19288.dir/src.c.o] Error 1
gmake[4]: Leaving directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
gmake[3]: *** [cmTC_19288/fast] Error 2
gmake[3]: Leaving directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
Source file was:
int main(void) { return 0; }
Performing C SOURCE FILE Test C_xCORE_AVX512_FLAG_ACCEPTED failed with the following output:
Change Dir: /scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp
Run Build Command:"/bin/gmake" "cmTC_b9e31/fast"
gmake[3]: Entering directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
/bin/gmake -f CMakeFiles/cmTC_b9e31.dir/build.make CMakeFiles/cmTC_b9e31.dir/build
gmake[4]: Entering directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
Building C object CMakeFiles/cmTC_b9e31.dir/src.c.o
/bin/cc -DC_xCORE_AVX512_FLAG_ACCEPTED -xCORE-AVX512 -o CMakeFiles/cmTC_b9e31.dir/src.c.o -c /scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/src.c
cc: error: language CORE-AVX512 not recognized
cc: error: language CORE-AVX512 not recognized
gmake[4]: *** [CMakeFiles/cmTC_b9e31.dir/src.c.o] Error 1
gmake[4]: Leaving directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
gmake[3]: *** [cmTC_b9e31/fast] Error 2
gmake[3]: Leaving directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
Source file was:
int main(void) { return 0; }
Performing C SOURCE FILE Test C_mavx512f_mfma_FLAG_ACCEPTED failed with the following output:
Change Dir: /scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp
Run Build Command:"/bin/gmake" "cmTC_53e49/fast"
gmake[3]: Entering directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
/bin/gmake -f CMakeFiles/cmTC_53e49.dir/build.make CMakeFiles/cmTC_53e49.dir/build
gmake[4]: Entering directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
Building C object CMakeFiles/cmTC_53e49.dir/src.c.o
/bin/cc -DC_mavx512f_mfma_FLAG_ACCEPTED -mavx512f -mfma -o CMakeFiles/cmTC_53e49.dir/src.c.o -c /scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/src.c
cc: error: unrecognized command line option ‘-mavx512f’
gmake[4]: *** [CMakeFiles/cmTC_53e49.dir/src.c.o] Error 1
gmake[4]: Leaving directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
gmake[3]: *** [cmTC_53e49/fast] Error 2
gmake[3]: Leaving directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
Source file was:
int main(void) { return 0; }
Performing C SOURCE FILE Test C_mavx512f_FLAG_ACCEPTED failed with the following output:
Change Dir: /scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp
Run Build Command:"/bin/gmake" "cmTC_900b8/fast"
gmake[3]: Entering directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
/bin/gmake -f CMakeFiles/cmTC_900b8.dir/build.make CMakeFiles/cmTC_900b8.dir/build
gmake[4]: Entering directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
Building C object CMakeFiles/cmTC_900b8.dir/src.c.o
/bin/cc -DC_mavx512f_FLAG_ACCEPTED -mavx512f -o CMakeFiles/cmTC_900b8.dir/src.c.o -c /scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/src.c
cc: error: unrecognized command line option ‘-mavx512f’
gmake[4]: *** [CMakeFiles/cmTC_900b8.dir/src.c.o] Error 1
gmake[4]: Leaving directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
gmake[3]: *** [cmTC_900b8/fast] Error 2
gmake[3]: Leaving directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
Source file was:
int main(void) { return 0; }
Performing C SOURCE FILE Test C_arch_AVX_FLAG_ACCEPTED failed with the following output:
Change Dir: /scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp
Run Build Command:"/bin/gmake" "cmTC_73b94/fast"
gmake[3]: Entering directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
/bin/gmake -f CMakeFiles/cmTC_73b94.dir/build.make CMakeFiles/cmTC_73b94.dir/build
gmake[4]: Entering directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
Building C object CMakeFiles/cmTC_73b94.dir/src.c.o
/bin/cc -DC_arch_AVX_FLAG_ACCEPTED /arch:AVX -o CMakeFiles/cmTC_73b94.dir/src.c.o -c /scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/src.c
cc: error: /arch:AVX: No such file or directory
gmake[4]: *** [CMakeFiles/cmTC_73b94.dir/src.c.o] Error 1
gmake[4]: Leaving directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
gmake[3]: *** [cmTC_73b94/fast] Error 2
gmake[3]: Leaving directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
Source file was:
int main(void) { return 0; }
Performing C SOURCE FILE Test C_hgnu_FLAG_ACCEPTED failed with the following output:
Change Dir: /scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp
Run Build Command:"/bin/gmake" "cmTC_b84c1/fast"
gmake[3]: Entering directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
/bin/gmake -f CMakeFiles/cmTC_b84c1.dir/build.make CMakeFiles/cmTC_b84c1.dir/build
gmake[4]: Entering directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
Building C object CMakeFiles/cmTC_b84c1.dir/src.c.o
/bin/cc -DC_hgnu_FLAG_ACCEPTED -hgnu -o CMakeFiles/cmTC_b84c1.dir/src.c.o -c /scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/src.c
cc: error: unrecognized command line option ‘-h’
gmake[4]: *** [CMakeFiles/cmTC_b84c1.dir/src.c.o] Error 1
gmake[4]: Leaving directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
gmake[3]: *** [cmTC_b84c1/fast] Error 2
gmake[3]: Leaving directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
Source file was:
int main(void) { return 0; }
Performing C SOURCE FILE Test C_COMPILE_WORKS_WITHOUT_SPECIAL_FLAGS failed with the following output:
Change Dir: /scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp
Run Build Command:"/bin/gmake" "cmTC_298e6/fast"
gmake[3]: Entering directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
/bin/gmake -f CMakeFiles/cmTC_298e6.dir/build.make CMakeFiles/cmTC_298e6.dir/build
gmake[4]: Entering directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
Building C object CMakeFiles/cmTC_298e6.dir/src.c.o
/bin/cc -DC_COMPILE_WORKS_WITHOUT_SPECIAL_FLAGS -o CMakeFiles/cmTC_298e6.dir/src.c.o -c /scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/src.c
/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/src.c: In function ‘main’:
/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/src.c:2:21: error: unknown type name ‘__m512’
int main(){__m512 x=_mm512_set1_ps(0.5); __m512 y=_mm512_fmadd_ps(x,x,x);
^
/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/src.c:2:51: error: unknown type name ‘__m512’
int main(){__m512 x=_mm512_set1_ps(0.5); __m512 y=_mm512_fmadd_ps(x,x,x);
^
/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/src.c:3:11: error: unknown type name ‘__m512i’
__m512i i = _mm512_set_epi32(15, 14, 13, 12, 11, 10, 9, 8, 7, 6, 5, 4, 3, 2, 1, 0);
^
/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/src.c:4:11: error: unknown type name ‘__mmask16’
__mmask16 mask = (short)(0xffff);
^
/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/src.c:7:56: error: ‘_CMP_LT_OS’ undeclared (first use in this function)
return idata[0]*(int)(_mm512_cmp_ps_mask(x,y,_CMP_LT_OS));}
^
/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/src.c:7:56: note: each undeclared identifier is reported only once for each function it appears in
gmake[4]: *** [CMakeFiles/cmTC_298e6.dir/src.c.o] Error 1
gmake[4]: Leaving directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
gmake[3]: *** [cmTC_298e6/fast] Error 2
gmake[3]: Leaving directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
Source file was:
#include<immintrin.h>
int main(){__m512 x=_mm512_set1_ps(0.5); __m512 y=_mm512_fmadd_ps(x,x,x);
__m512i i = _mm512_set_epi32(15, 14, 13, 12, 11, 10, 9, 8, 7, 6, 5, 4, 3, 2, 1, 0);
__mmask16 mask = (short)(0xffff);
int idata[16]; i = _mm512_maskz_permutexvar_epi32(mask, i, i);
_mm512_storeu_si512(idata, i);
return idata[0]*(int)(_mm512_cmp_ps_mask(x,y,_CMP_LT_OS));}
Performing C++ SOURCE FILE Test CXX_xCORE_AVX512_qopt_zmm_usage_high_FLAG_ACCEPTED failed with the following output:
Change Dir: /scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp
Run Build Command:"/bin/gmake" "cmTC_5f7fc/fast"
gmake[3]: Entering directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
/bin/gmake -f CMakeFiles/cmTC_5f7fc.dir/build.make CMakeFiles/cmTC_5f7fc.dir/build
gmake[4]: Entering directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
Building CXX object CMakeFiles/cmTC_5f7fc.dir/src.cxx.o
/bin/c++ -std=c++11 -DCXX_xCORE_AVX512_qopt_zmm_usage_high_FLAG_ACCEPTED -xCORE-AVX512 -qopt-zmm-usage=high -o CMakeFiles/cmTC_5f7fc.dir/src.cxx.o -c /scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/src.cxx
c++: error: unrecognized command line option ‘-qopt-zmm-usage=high’
gmake[4]: *** [CMakeFiles/cmTC_5f7fc.dir/src.cxx.o] Error 1
gmake[4]: Leaving directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
gmake[3]: *** [cmTC_5f7fc/fast] Error 2
gmake[3]: Leaving directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
Source file was:
int main() { return 0;}
Performing C++ SOURCE FILE Test CXX_xCORE_AVX512_FLAG_ACCEPTED failed with the following output:
Change Dir: /scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp
Run Build Command:"/bin/gmake" "cmTC_cb9e3/fast"
gmake[3]: Entering directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
/bin/gmake -f CMakeFiles/cmTC_cb9e3.dir/build.make CMakeFiles/cmTC_cb9e3.dir/build
gmake[4]: Entering directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
Building CXX object CMakeFiles/cmTC_cb9e3.dir/src.cxx.o
/bin/c++ -std=c++11 -DCXX_xCORE_AVX512_FLAG_ACCEPTED -xCORE-AVX512 -o CMakeFiles/cmTC_cb9e3.dir/src.cxx.o -c /scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/src.cxx
c++: error: language CORE-AVX512 not recognized
c++: error: language CORE-AVX512 not recognized
gmake[4]: *** [CMakeFiles/cmTC_cb9e3.dir/src.cxx.o] Error 1
gmake[4]: Leaving directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
gmake[3]: *** [cmTC_cb9e3/fast] Error 2
gmake[3]: Leaving directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
Source file was:
int main() { return 0;}
Performing C++ SOURCE FILE Test CXX_mavx512f_mfma_FLAG_ACCEPTED failed with the following output:
Change Dir: /scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp
Run Build Command:"/bin/gmake" "cmTC_bd756/fast"
gmake[3]: Entering directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
/bin/gmake -f CMakeFiles/cmTC_bd756.dir/build.make CMakeFiles/cmTC_bd756.dir/build
gmake[4]: Entering directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
Building CXX object CMakeFiles/cmTC_bd756.dir/src.cxx.o
/bin/c++ -std=c++11 -DCXX_mavx512f_mfma_FLAG_ACCEPTED -mavx512f -mfma -o CMakeFiles/cmTC_bd756.dir/src.cxx.o -c /scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/src.cxx
c++: error: unrecognized command line option ‘-mavx512f’
gmake[4]: *** [CMakeFiles/cmTC_bd756.dir/src.cxx.o] Error 1
gmake[4]: Leaving directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
gmake[3]: *** [cmTC_bd756/fast] Error 2
gmake[3]: Leaving directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
Source file was:
int main() { return 0;}
Performing C++ SOURCE FILE Test CXX_mavx512f_FLAG_ACCEPTED failed with the following output:
Change Dir: /scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp
Run Build Command:"/bin/gmake" "cmTC_36378/fast"
gmake[3]: Entering directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
/bin/gmake -f CMakeFiles/cmTC_36378.dir/build.make CMakeFiles/cmTC_36378.dir/build
gmake[4]: Entering directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
Building CXX object CMakeFiles/cmTC_36378.dir/src.cxx.o
/bin/c++ -std=c++11 -DCXX_mavx512f_FLAG_ACCEPTED -mavx512f -o CMakeFiles/cmTC_36378.dir/src.cxx.o -c /scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/src.cxx
c++: error: unrecognized command line option ‘-mavx512f’
gmake[4]: *** [CMakeFiles/cmTC_36378.dir/src.cxx.o] Error 1
gmake[4]: Leaving directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
gmake[3]: *** [cmTC_36378/fast] Error 2
gmake[3]: Leaving directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
Source file was:
int main() { return 0;}
Performing C++ SOURCE FILE Test CXX_arch_AVX_FLAG_ACCEPTED failed with the following output:
Change Dir: /scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp
Run Build Command:"/bin/gmake" "cmTC_9355f/fast"
gmake[3]: Entering directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
/bin/gmake -f CMakeFiles/cmTC_9355f.dir/build.make CMakeFiles/cmTC_9355f.dir/build
gmake[4]: Entering directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
Building CXX object CMakeFiles/cmTC_9355f.dir/src.cxx.o
/bin/c++ -std=c++11 -DCXX_arch_AVX_FLAG_ACCEPTED /arch:AVX -o CMakeFiles/cmTC_9355f.dir/src.cxx.o -c /scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/src.cxx
c++: error: /arch:AVX: No such file or directory
gmake[4]: *** [CMakeFiles/cmTC_9355f.dir/src.cxx.o] Error 1
gmake[4]: Leaving directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
gmake[3]: *** [cmTC_9355f/fast] Error 2
gmake[3]: Leaving directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
Source file was:
int main() { return 0;}
Performing C++ SOURCE FILE Test CXX_hgnu_FLAG_ACCEPTED failed with the following output:
Change Dir: /scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp
Run Build Command:"/bin/gmake" "cmTC_12bf1/fast"
gmake[3]: Entering directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
/bin/gmake -f CMakeFiles/cmTC_12bf1.dir/build.make CMakeFiles/cmTC_12bf1.dir/build
gmake[4]: Entering directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
Building CXX object CMakeFiles/cmTC_12bf1.dir/src.cxx.o
/bin/c++ -std=c++11 -DCXX_hgnu_FLAG_ACCEPTED -hgnu -o CMakeFiles/cmTC_12bf1.dir/src.cxx.o -c /scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/src.cxx
c++: error: unrecognized command line option ‘-h’
gmake[4]: *** [CMakeFiles/cmTC_12bf1.dir/src.cxx.o] Error 1
gmake[4]: Leaving directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
gmake[3]: *** [cmTC_12bf1/fast] Error 2
gmake[3]: Leaving directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
Source file was:
int main() { return 0;}
Performing C++ SOURCE FILE Test CXX_COMPILE_WORKS_WITHOUT_SPECIAL_FLAGS failed with the following output:
Change Dir: /scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp
Run Build Command:"/bin/gmake" "cmTC_791ba/fast"
gmake[3]: Entering directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
/bin/gmake -f CMakeFiles/cmTC_791ba.dir/build.make CMakeFiles/cmTC_791ba.dir/build
gmake[4]: Entering directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
Building CXX object CMakeFiles/cmTC_791ba.dir/src.cxx.o
/bin/c++ -std=c++11 -DCXX_COMPILE_WORKS_WITHOUT_SPECIAL_FLAGS -o CMakeFiles/cmTC_791ba.dir/src.cxx.o -c /scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/src.cxx
/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/src.cxx: In function ‘int main()’:
/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/src.cxx:2:21: error: ‘__m512’ was not declared in this scope
int main(){__m512 x=_mm512_set1_ps(0.5); __m512 y=_mm512_fmadd_ps(x,x,x);
^
/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/src.cxx:2:28: error: expected ‘;’ before ‘x’
int main(){__m512 x=_mm512_set1_ps(0.5); __m512 y=_mm512_fmadd_ps(x,x,x);
^
/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/src.cxx:2:58: error: expected ‘;’ before ‘y’
int main(){__m512 x=_mm512_set1_ps(0.5); __m512 y=_mm512_fmadd_ps(x,x,x);
^
/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/src.cxx:3:11: error: ‘__m512i’ was not declared in this scope
__m512i i = _mm512_set_epi32(15, 14, 13, 12, 11, 10, 9, 8, 7, 6, 5, 4, 3, 2, 1, 0);
^
/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/src.cxx:3:19: error: expected ‘;’ before ‘i’
__m512i i = _mm512_set_epi32(15, 14, 13, 12, 11, 10, 9, 8, 7, 6, 5, 4, 3, 2, 1, 0);
^
/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/src.cxx:4:11: error: ‘__mmask16’ was not declared in this scope
__mmask16 mask = (short)(0xffff);
^
/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/src.cxx:4:21: error: expected ‘;’ before ‘mask’
__mmask16 mask = (short)(0xffff);
^
/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/src.cxx:5:26: error: ‘i’ was not declared in this scope
int idata[16]; i = _mm512_maskz_permutexvar_epi32(mask, i, i);
^
/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/src.cxx:5:62: error: ‘mask’ was not declared in this scope
int idata[16]; i = _mm512_maskz_permutexvar_epi32(mask, i, i);
^
/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/src.cxx:5:72: error: ‘_mm512_maskz_permutexvar_epi32’ was not declared in this scope
int idata[16]; i = _mm512_maskz_permutexvar_epi32(mask, i, i);
^
/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/src.cxx:6:39: error: ‘_mm512_storeu_si512’ was not declared in this scope
_mm512_storeu_si512(idata, i);
^
/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/src.cxx:7:52: error: ‘x’ was not declared in this scope
return idata[0]*(int)(_mm512_cmp_ps_mask(x,y,_CMP_LT_OS));}
^
/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/src.cxx:7:54: error: ‘y’ was not declared in this scope
return idata[0]*(int)(_mm512_cmp_ps_mask(x,y,_CMP_LT_OS));}
^
/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/src.cxx:7:56: error: ‘_CMP_LT_OS’ was not declared in this scope
return idata[0]*(int)(_mm512_cmp_ps_mask(x,y,_CMP_LT_OS));}
^
/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp/src.cxx:7:66: error: ‘_mm512_cmp_ps_mask’ was not declared in this scope
return idata[0]*(int)(_mm512_cmp_ps_mask(x,y,_CMP_LT_OS));}
^
gmake[4]: *** [CMakeFiles/cmTC_791ba.dir/src.cxx.o] Error 1
gmake[4]: Leaving directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
gmake[3]: *** [cmTC_791ba/fast] Error 2
gmake[3]: Leaving directory `/scratch/04676/tg839752/Jerry/VOTCAINSTALL/votca1/votca/build/gromacs/src/Gromacs_build-build/CMakeFiles/CMakeTmp'
Source file was:
#include<immintrin.h>
int main(){__m512 x=_mm512_set1_ps(0.5); __m512 y=_mm512_fmadd_ps(x,x,x);
__m512i i = _mm512_set_epi32(15, 14, 13, 12, 11, 10, 9, 8, 7, 6, 5, 4, 3, 2, 1, 0);
__mmask16 mask = (short)(0xffff);
int idata[16]; i = _mm512_maskz_permutexvar_epi32(mask, i, i);
_mm512_storeu_si512(idata, i);
return idata[0]*(int)(_mm512_cmp_ps_mask(x,y,_CMP_LT_OS));}
