Michael
Try looking at
http://jswails.wikidot.com/installing-amber14-and-ambertools14
It has really good instructions for installation.
Now, one question that Ross asked is important. Do you have a license
for amber14? Basically, did you buy it?
Ambertools is free now, and you can download it from the amber web site.
Amber14 itself requires license. Ross asked his question because the
error you got when installing it what one should expect if amber14 is
not present anywhere.
Adrian
On 12/30/14 3:51 PM, Michael Shokhen wrote:
> Dear Ross,
>
> You are expert in AMBER.
> In contrast, as I wrote in my previous email I am a new AMBER user.
> I read in AMBER14 website that it includes full GPU support in PMEMD.
> I need to install PMEMD on my linux ubuntu workstation (see details in my
> previous
> email). Unfortunately, I didn't find any relevant protocol in AMBER14 User
> Gide,
> neither in the AMBER website for the PMEMD installation at a workstation.
> I would appreciate your help in such protocol.
>
> Many thanks,
> Michael
>
>
> *****************************
> Michael Shokhen, PhD
> Associate Professor
> Department of Chemistry
> Bar Ilan University,
> Ramat Gan, 52900
> Israel
> email: michael.shokhen.gmail.com
> email: shokhen.mail.biu.ac.il
>
>
> On Tue, Dec 30, 2014 at 10:11 PM, Ross Walker <ross.rosswalker.co.uk> wrote:
>> Hi Michael,
>>
>> AmberTools does not have any programs that utilize GPUs. Do you have a
>> full copy of AMBER 14 or just AmberTools since the error message implies
>> the later?
>>
>> All the best
>> Ross
>>
>>
>> On 12/30/14, 11:31 AM, "Michael Shokhen" <michael.shokhen.biu.ac.il>
>> wrote:
>>
>>> Hello,
>>>
>>> I am a new Amber user.
>>> I have succeeded with installation of amber14 regular variant,
>>> but unfortunately failed to install amber14 with GPU CUDA.
>>> I would appreciate if somebody can send me a set of commands
>>> relevant for amber14 with GPU CUDA installation on my Linux workstation.
>>>
>>> Thank you,
>>> Michael
>>>
>>> See below the details about my workstation,
>>> and system report about failed installation
>>>
>>> I have received an error message
>>> after running the commands:
>>>
>>> ./config -cuda gnu
>>> make install
>>>
>>>
>>>
>>> shokhen.quant-lnx:~/amber14$ make install
>>> cd AmberTools/src && make install
>>> make[1]: Entering directory `/home/shokhen/amber14/AmberTools/src'
>>> AmberTools14 has no CUDA-enabled components
>>> (cd ../../src && make cuda )
>>> make[2]: Entering directory `/home/shokhen/amber14/src'
>>> make[2]: *** No rule to make target `cuda'. Stop.
>>> make[2]: Leaving directory `/home/shokhen/amber14/src'
>>> make[1]: [cuda] Error 2 (ignored)
>>> make[1]: Leaving directory `/home/shokhen/amber14/AmberTools/src'
>>> ==============================================================
>>> /home/shokhen/amber14/src/Makefile not found, or -noamber was set.
>>> This is expected if you do not have Amber14.
>>> ==============================================================
>>>
>>> *****************************
>>> Michael Shokhen, PhD
>>> Associate Professor
>>> Department of Chemistry
>>> Bar Ilan University,
>>> Ramat Gan, 52900
>>> Israel
>>> email: michael.shokhen.gmail.com
>>> email: shokhen.mail.biu.ac.il
>>> _______________________________________________
>>> AMBER mailing list
>>> AMBER.ambermd.org
>>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
--
Dr. Adrian E. Roitberg
Professor.
Department of Chemistry
University of Florida
roitberg.ufl.edu
352-392-6972
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Received on Tue Dec 30 2014 - 13:00:04 PST
