[gmx-users] Problem compiling Gromacs 5.1

Atsutoshi Okabe atsutoshi0708 at gmail.com
Fri Aug 21 17:18:17 CEST 2015


Thanks, Mark.
I inserted quotation in line 52 as Mark suggested.
I tried cmake again and got the only error. 
Boost >= 1.44 not found. Using minimal internal version. This may cause trouble if you plan on compiling/linking other software that uses Boost against GROMACS.

I don't know what the error means, but I did make and make install.
After finished, I checked /bin directory. But almost all commands which we need to execute(i.g mdrun, trjconv...) were not generated.
Actually, onlyI the following file were generated in bin directory.
bin/
bin/xplor2gmx.pl
bin/GMXRC.bash
bin/gmx-completion-gmx_mpi.bash
bin/demux.pl
bin/GMXRC.zsh
bin/GMXRC
bin/gmx-completion.bash
bin/GMXRC.csh
bin/gmx_mpi

What causes this problem?

2015/08/20 21:44、Mark Abraham <mark.j.abraham at gmail.com> のメール:

> Hi,
> 
> You should change line 52 from what it is, to what I suggested - which
> inserts quotation marks around one of the variable interpolations.
> 
> Mark
> 
> On Thu, Aug 20, 2015 at 2:43 PM 岡部篤俊 <atsutoshi0708 at gmail.com> wrote:
> 
>> Thanks, Peter.
>> But , I mean I don’t know what line I should change to from line 52 of
>> cmake/FindPhinx.cmake to solve this error.
>> 
>> Leucer
>> 
>> 2015/08/20 16:02、Kroon, P.C. <p.c.kroon at rug.nl> のメール:
>> 
>>> Just use your favourite text editor.
>>> 
>>> Peter
>>> 
>>> On Thu, Aug 20, 2015 at 3:10 AM, <atsutoshi0708 at gmail.com> wrote:
>>> 
>>>> Line 52 of cmake/FindSphinx.cmake file is written below.
>>>> string(REGEX REPLACE "Sphinx \\([^)]*\\) ([^ ]+)" "\\1"
>>>> SPHINX_EXECUTABLE_VERSION "${SPHINX_VERSION_OUTPUT_VARIABLE}")
>>>> 
>>>> Can you tell me how I can change the line?
>>>> 
>>>> Bests,
>>>> Leucer
>>>> 
>>>> 
>>>> 2015/08/19 23:11、Mark Abraham <mark.j.abraham at gmail.com> のメッセージ:
>>>> 
>>>>> Hi,
>>>>>> On Wed, Aug 19, 2015 at 3:49 PM 岡部篤俊 <atsutoshi0708 at gmail.com> wrote:
>>>>>> 
>>>>>> Hi,
>>>>>> 
>>>>>> I am unable to  compile Gromamcs 5.1 using the following cmake
>> command.
>>>>>> cmake .. -DGMX_FFT_LIBRARY=fftpack
>>>>>> -DCMAKE_INSTALL_PREFIX=gromacs/gromacs-5.1 -DGMX_DOUBLE=off
>>>>>> -DGMX_THREAD_MPI=off -DGMX_MPI=on -DGMX_CPU_ACCELERATION=SSE4.1
>>>>> 
>>>>> 
>>>>> Unrelated, but you now need to use -DGMX_SIMD=SSE4.1 to have the same
>>>>> effect.
>>>>> 
>>>>> 
>>>>>> -DGMX_USE_RDTSCP=off
>>>>>> 
>>>>>> Then I got the error message.
>>>>>> Boost >= 1.44 not found. Using minimal internal version. This may
>> cause
>>>>>> trouble if you plan on compiling/linking other software that uses
>> Boost
>>>>>> against GROMACS.
>>>>>> CMake Error at cmake/FindSphinx.cmake:52 (string):
>>>>>> string sub-command REGEX, mode REPLACE needs at least 6 arguments
>> total
>>>>>> to
>>>>>> command.
>>>>>> Call Stack (most recent call first):
>>>>>> docs/CMakeLists.txt:62 (find_package)
>>>>>> 
>>>>>> Could you advice what could be causing this error?
>>>>> 
>>>>> We try to find Sphinx in case people want to build the new
>> documentation,
>>>>> but it looks like some part of the detection isn't reliable enough. Can
>>>> you
>>>>> please try changing line 52 of cmake/FindSphinx.cmake to read
>>>>> 
>>>>>  string(REGEX REPLACE "Sphinx \\([^)]*\\) ([^ ]+)" "\\1"
>>>>> SPHINX_EXECUTABLE_VERSION "${SPHINX_VERSION_OUTPUT_VARIABLE}")
>>>>> 
>>>>> and let us know how you go?
>>>>> 
>>>>> Mark
>>>>> 
>>>>> I was able to compile Gromacs 5.0 using same cmake command….
>>>>>> 
>>>>>> Bests,
>>>>>> Leucer
>>>>>> --
>>>>>> Gromacs Users mailing list
>>>>>> 
>>>>>> * Please search the archive at
>>>>>> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_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-users or
>>>>>> send a mail to gmx-users-request at gromacs.org.
>>>>> --
>>>>> Gromacs Users mailing list
>>>>> 
>>>>> * Please search the archive at
>>>> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_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-users or
>>>> send a mail to gmx-users-request at gromacs.org.
>>>> --
>>>> Gromacs Users mailing list
>>>> 
>>>> * Please search the archive at
>>>> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_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-users or
>>>> send a mail to gmx-users-request at gromacs.org.
>>>> 
>>> --
>>> Gromacs Users mailing list
>>> 
>>> * Please search the archive at
>> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_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-users or
>> send a mail to gmx-users-request at gromacs.org.
>> 
>> --
>> Gromacs Users mailing list
>> 
>> * Please search the archive at
>> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_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-users or
>> send a mail to gmx-users-request at gromacs.org.
> -- 
> Gromacs Users mailing list
> 
> * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_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-users or send a mail to gmx-users-request at gromacs.org.



More information about the gromacs.org_gmx-users mailing list