[gmx-users] converting .xpm to .eps

[Carsten Kutzner]

Dear Hector,

your contribution is unrelated to this thread of conversation.
Please choose an appropriate subject line (e.g. "installation problems
with CUDA") and repost your question to the list.

Thanks,
    Carsten


On 12/20/2013 07:55 AM, Hector Manuel Manzanilla Granados wrote:
> Hi, I need some help.
> In these  days, I install one NVIDIA target (GTX 760 on UBUNTU 12.04), 
> together with
> toolkit 5.5 of CUDA. Apparently  CUDA runs fine, the problem is that
> I can't to compile GROMACS in CUDA, I think that have some mistake in the
> installation of cuda, may I somebody help me please?. A frend 
> recommended me do the
> following:
>
>
>
> Instalación gromacs
>
> ----------------------------------
>
> sudo apt-get install cmake
>
> wget ftp://ftp.gromacs.org/pub/gromacs/gromacs-4.6.4.tar.gz
>
> tar xzvf gromacs-.6.4.tar.gz
>
> cd gromacs-4.6.4/
>
> mkdir build
>
> cd build/
>
> cmake .. -DGMX_BUILD_OWN_FFTW=ON -DGMX_GPU=ON
> -DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda-5.5
>
> make
>
> make install
>
> export PATH=$PATH:/usr/local/gromacs/bin
>
>
>
>
>
>
>
>
>
>
> I check the manual, apparantly there isn't any problem, however it 
> fail, I have some doubt about of
> path in the .bashr. Probably if the new version of CUDA. If anyone can 
> suggest me
> something I'll be greatfully, i.e., probably anyone can show me his 
> final lines (path) in their
> ./bashr.
>
> best greetings.
>
> Thanks.
>
>
> On Fri, 20 Dec 2013 10:04:12 +0530
>  Nidhi Jatana <nidhijatana at bic-svc.ac.in> wrote:
>> Dear Sir/Madam
>> Please find attached the file containing the error.
>>
>> Thanking you
>>
>> Regards
>> -- 
>> Nidhi Jatana
>> Senior Research Fellow
>> Bioinformatics Center
>> Sri Venkateswara College
>> (University of Delhi)
>> Dhaula Kuan
>> New Delhi-110021.
>>
>>
>>
>> On Thu, Dec 19, 2013 at 7:44 PM, Carsten Kutzner <ckutzne at gwdg.de> 
>> wrote:
>>
>>> On 12/19/2013 12:53 PM, Nidhi Jatana wrote:
>>>
>>>> Dear Sir/Madam
>>>> I generated the atomic density plot using g_densmap by giving the
>>>> following
>>>> command:
>>>> g_densmap -f *.xtc -s *.pdb -n *.ndx -o *.xpm
>>>>
>>>> The calculation completed successfully but when I am trying to convert
>>>> .xpm
>>>> file to .eps file using xpm2ps command, its giving error and aborts.
>>>>
>>> What is the error message?
>>>
>>> If I use your set of commands with Gromacs 4.6.4, I can successfully 
>>> create
>>> an EPS file.
>>>
>>> Carsten
>>>
>>>
>>>> xpm2ps -f *.xpm -o *.eps -rainbow red -xpm *.xpm
>>>>
>>>> I have tried many options with setting -bx and -by but of no help. 
>>>> I also
>>>> tried taking the .m2p file but the problem persist. Please find 
>>>> attached
>>>> the .m2p file for reference. Please help me with this.
>>>>
>>>> Thanking you
>>>>
>>>> Regards
>>>>   --
>>>> Nidhi Jatana
>>>> Senior Research Fellow
>>>> Bioinformatics Center
>>>> Sri Venkateswara College
>>>> (University of Delhi)
>>>> Dhaula Kuan
>>>> New Delhi-110021.
>>>>
>>>>
>>>>
>>> -- 
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>