On Thu, Aug 21, 2014 at 10:12 AM, David van der Spoel <***@xray.bmc.uu.se>
wrote:
> On 2014-08-21 10:08, ***@sjtu.edu.cn wrote:
>
>> Dose these functions will be called when mdrun?
>>
> No. If you want to learn more go to your build directory and run
> make doc-all
> this will build the development documentation, accessible using your
> browser from doxygen/index.html
>
Or, as auto-built by Gerrit -
http://jenkins.gromacs.org/job/Doxygen_Gerrit_5_0/javadoc/html-lib/page_unittesting.xhtml
Mark
>
>> ------------------------------------------------------------------------
>> ***@sjtu.edu.cn
>>
>> *From:* David van der Spoel <mailto:***@xray.bmc.uu.se>
>> *Date:* 2014-08-21 16:00
>>
>> *To:* gmx-developers <mailto:gmx-***@gromacs.org>
>> *Subject:* Re: [gmx-developers] question for gromacs-5.0 source code
>> On 2014-08-21 09:57, ***@sjtu.edu.cn wrote:
>> > The functions in this file are like this:
>> It is googletest code to test the FFT routines.
>> >
>> > //TODO: test with threads and more than 1 MPI ranks
>> > TEST_F(FFFTest3D, Real5_6_9)
>> > {
>> > int ndata[] = {5, 6, 9};
>> > MPI_Comm comm[] = {MPI_COMM_NULL, MPI_COMM_NULL};
>> > real * rdata;
>> > t_complex* cdata;
>> > ivec local_ndata, offset, rsize, csize, complex_order;
>> >
>> > gmx_parallel_3dfft_init(&fft_, ndata, &rdata, &cdata,
>> > comm, TRUE, 1);
>> >
>> > gmx_parallel_3dfft_real_limits(fft_, local_ndata, offset, rsize);
>> > gmx_parallel_3dfft_complex_limits(fft_, complex_order,
>> > local_ndata, offset, csize);
>> > checker_.checkVector(rsize, "rsize");
>> > checker_.checkVector(csize, "csize");
>> > int size = csize[0]*csize[1]*csize[2];
>> >
>> > memcpy(rdata, inputdata, size*sizeof(t_complex));
>> > gmx_parallel_3dfft_execute(fft_, GMX_FFT_REAL_TO_COMPLEX, 0,
>> NULL);
>> > //TODO use std::complex and add checkComplex for it
>> > checker_.checkSequenceArray(size*2,
>> > reinterpret_cast<real*>(cdata), "forward");
>> >
>> > memcpy(cdata, inputdata, size*sizeof(t_complex));
>> > gmx_parallel_3dfft_execute(fft_, GMX_FFT_COMPLEX_TO_REAL, 0,
>> NULL);
>> > for (int i = 0; i < ndata[0]*ndata[1]; i++) //check sequence but
>> skip
>> > unused data
>> > {
>> > checker_.checkSequenceArray(ndata[2], rdata+i*rsize[2],
>> > gmx::formatString("backward %d", i).c_str());
>> > }
>> > }
>> >
>> >
>> ------------------------------------------------------------
>> ------------
>> > ***@sjtu.edu.cn
>> >
>> > *From:* David van der Spoel <mailto:***@xray.bmc.uu.se>
>> > *Date:* 2014-08-21 15:53
>> > *To:* gmx-developers <mailto:gmx-***@gromacs.org>
>> > *Subject:* Re: [gmx-developers] question for gromacs-5.0
>> source code
>> > On 2014-08-21 09:35, ***@sjtu.edu.cn wrote:
>> > > Hi,
>> > >
>> > > I saw a source file fft.cpp that contains some test
>> functions
>> > under the
>> > > path gromacs-5.0\src\gromacs\fft\tests.What is it used
>> for?Dose any
>> > > functions in other files will use this file's functions?
>> > What does it look like? Testing. So the answer is probably no.
>> > >
>> > > BR,
>> > > Steve
>> > >
>> > >
>> >
>> ------------------------------------------------------------
>> ------------
>> > > ***@sjtu.edu.cn <mailto:***@sjtu.edu.cn>
>> > >
>> > >
>> > --
>> > David van der Spoel, Ph.D., Professor of Biology
>> > Dept. of Cell & Molec. Biol., Uppsala University.
>> > Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
>> > ***@xray.bmc.uu.se http://folding.bmc.uu.se
>> > --
>> > Gromacs Developers mailing list
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>> >
>> >
>> --
>> David van der Spoel, Ph.D., Professor of Biology
>> Dept. of Cell & Molec. Biol., Uppsala University.
>> Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
>> ***@xray.bmc.uu.se http://folding.bmc.uu.se
>> --
>> Gromacs Developers mailing list
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>>
>>
>>
>
> --
> David van der Spoel, Ph.D., Professor of Biology
> Dept. of Cell & Molec. Biol., Uppsala University.
> Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
> ***@xray.bmc.uu.se http://folding.bmc.uu.se
> --
> Gromacs Developers mailing list
>
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