[gmx-developers] compiling GROMACS and SCALASCA
jing liang
jingliang2015 at gmail.com
Mon Jun 27 22:54:50 CEST 2016
Hi,
I have the script call cc.sh which has the lines:
#!/bin/sh
/scalasca -instrument "$@"
where I should call that script?
thanks.
2016-06-27 22:03 GMT+02:00 Mark Abraham <mark.j.abraham at gmail.com>:
> Hi,
>
> That cmake line can't work because you haven't told the shell that some of
> your spaces are intended to be passed as the arguments. However, you are
> right that CMake expects a compiler, not an arbitrary string to dump onto a
> command line. SCALASCA's approach seems to assume that you're using a plain
> Makefile. You can work around that by providing your own script that does
> function like a compiler, where you modify the command-line arguments to
> suit SCALASCA. CMake just calls that script and it's now up to you to
> construct it so that it works the way SCALASCA needs. (Or ask them to make
> one, to help their tool be more useful.)
>
> Mark
>
> On Mon, Jun 27, 2016 at 9:43 PM jing liang <jingliang2015 at gmail.com>
> wrote:
>
>> Hi,
>>
>> I am trying to compile GROMACS along with SCALASCA. I compile
>> C programs with scalasca using the command:
>>
>> /software/bin/scalasca -instrument /software/intel/icc program.c
>>
>> Following that idea, I tried to use the CC/C++ environmental variables as
>> follows:
>> -DCMAKE_C_COMPILER=/software/bin/scalasca -instrument
>> /software/intel/icc
>> -DCMAKE_CXX_COMPILER=/software/bin/scalasca -instrument
>> /software/intel/icpc
>>
>> However, it seems that cmake interprets that the compiler is
>> just /software/bin/scalasca and not the entire line:
>> /software/bin/scalasca -instrument /software/intel/icc (the same happens
>> with c++)
>>
>> or maybe the line is too long.
>>
>> Do you know if this is the proper way to install GROMACS with SCALASCA
>> enabled? Or maybe there is something better?
>>
>> Any suggestion on how to include SCALASCA path into the compiler path?
>>
>> Here is the complete instruction I am using together with the output.
>> The GROMACS version I am trying is 5.0.
>>
>> Note: without the SCALASCA path, both icc and icpc compilers are well
>> recognized by cmake and I am able to install GROMACS.
>>
>>
>> -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
>>
>> cmake -D CMAKE_INSTALL_PREFIX=${INSTALL_PATH}
>> -DCMAKE_C_COMPILER=/software/bin/scalasca -instrument /software/intel/icc \
>> -DCMAKE_CXX_COMPILER=/software/bin/scalasca -instrument
>> /software/intel/icpc \
>> -D Boost_INCLUDE_DIR=/software/build03/include -D GMX_FFT_LIBRARY=mkl -D
>> MKL_INCLUDE_DIR=${MKL}/include \
>> -D MKL_LIBRARIES=${MKL}/lib/intel64/libmkl_rt.so -D
>> REGRESSIONTEST_PATH=${REGTS} \
>> -D REGRESSIONTEST_DOWNLOAD=OFF ${GMX}
>> -- The C compiler identification is unknown
>> -- The CXX compiler identification is unknown
>> -- Check for working C compiler: /software/bin/scalasca
>> -- Check for working C compiler: /software/bin/scalasca -- broken
>> CMake Error at /software/CMakeTestCCompiler.cmake:61 (message):
>> The C compiler
>> "/software/bin/scalasca" is not able
>> to compile a simple test program.
>>
>> It fails with the following output:
>>
>> Change Dir: /home/jliang/BUILD_TEST/CMakeFiles/CMakeTmp
>>
>>
>>
>> Run Build Command:/usr/bin/gmake "cmTryCompileExec1997940207/fast"
>>
>> /usr/bin/gmake -f CMakeFiles/cmTryCompileExec1997940207.dir/build.make
>> CMakeFiles/cmTryCompileExec1997940207.dir/build
>>
>> gmake[1]: Entering directory
>> `/home/jliang/BUILD_TEST/CMakeFiles/CMakeTmp'
>>
>> /software/bin/cmake -E cmake_progress_report
>> /home/jliang/BUILD_TEST/CMakeFiles/CMakeTmp/CMakeFiles 1
>>
>> Building C object
>> CMakeFiles/cmTryCompileExec1997940207.dir/testCCompiler.c.o
>>
>> /software/bin/scalasca -o
>> CMakeFiles/cmTryCompileExec1997940207.dir/testCCompiler.c.o -c
>> /home/jliang/BUILD_TEST/CMakeFiles/CMakeTmp/testCCompiler.c
>>
>> Unexpected argument: -o
>>
>> Scalasca 2.1
>>
>> Toolset for scalable performance analysis of large-scale parallel
>> applications
>>
>> usage: scalasca [OPTION]... ACTION <argument>...
>>
>> 1. prepare application objects and executable for measurement:
>> scalasca -instrument <compile-or-link-command> # skin (using
>> scorep)
>> 2. run application under control of measurement system:
>> scalasca -analyze <application-launch-command> # scan
>> 3. interactively explore measurement analysis report:
>> scalasca -examine <experiment-archive|report> # square
>>
>>
>>
>> Options:
>>
>> -c, --show-config show configuration summary and exit
>> -h, --help show this help and exit
>> -n, --dry-run show actions without taking them
>> --quickref show quick reference guide and exit
>> -v, --verbose enable verbose commentary
>> -V, --version show version information and exit
>>
>>
>>
>> gmake[1]: ***
>> [CMakeFiles/cmTryCompileExec1997940207.dir/testCCompiler.c.o]
>> Error 1
>>
>> gmake[1]: Leaving directory
>> `/home/jliang/BUILD_TEST/CMakeFiles/CMakeTmp'
>>
>> gmake: *** [cmTryCompileExec1997940207/fast] Error 2
>>
>>
>>
>>
>>
>> CMake will not be able to correctly generate this project.
>> Call Stack (most recent call first):
>> CMakeLists.txt:45 (project)
>>
>>
>> -- Configuring incomplete, errors occurred!
>>
>>
>>
>>
>> --
>> Gromacs Developers mailing list
>>
>> * Please search the archive at
>> http://www.gromacs.org/Support/Mailing_Lists/GMX-developers_List before
>> posting!
>>
>> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>>
>> * For (un)subscribe requests visit
>> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-developers
>> or send a mail to gmx-developers-request at gromacs.org.
>
>
> --
> Gromacs Developers mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-developers_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-developers
> or send a mail to gmx-developers-request at gromacs.org.
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-developers/attachments/20160627/70786358/attachment-0001.html>
More information about the gromacs.org_gmx-developers
mailing list