Thanks Ross
Both patches are now applied with no problems. However, make in
~/amber10/src/pmemd fails with the following error. I checked, and the
gbl_constants.fpp file is present.
[aapeters.os40 pmemd]$ make
cd src && make all
make[1]: Entering directory `/tmp/aapeters/amber10/src/pmemd/src'
cc -E -DPUBFFT gbl_constants.fpp gbl_constants.f90
cc: gbl_constants.f90: No such file or directory
# 1 "gbl_constants.fpp"
# 1 "<built-in>"
# 1 "<command-line>"
# 1 "gbl_constants.fpp"
# 1 "copyright.i" 1
.....
.....
Any ideas?
Andrew
> Hi Andrew,
>
> Just to follow up on this it turns out that there was a typo in one of the
> bugfixes (31 I think) in the bugfix.all file. This would have affected all
> PMEMD compiles not just the cuda patched version. The webpage should now
> be
> updated in which case I believe the cuda patch should now work (assuming
> you
> still remove bugfix.26 from it).
>
> Let me know if you have any problems.
>
> All the best
> Ross
>
>> -----Original Message-----
>> From: amber-bounces.ambermd.org [mailto:amber-bounces.ambermd.org] On
>> Behalf Of Ross Walker
>> Sent: Monday, April 12, 2010 2:58 PM
>> To: 'AMBER Mailing List'
>> Subject: RE: [AMBER] Amber10 Cuda compile failure
>>
>> Hi Andrew,
>>
>> > Attempting to compile Amber10 for GPU use.
>> >
>> > As per Amber Developers site, I remove bugfix 26 from bugfix.all, and
>> > apply the patch. I get a few patch failures.
>> >
>> > Ignoring the previous patch failures, I then I apply the nvidia patch
>> > with:
>> > patch -p0 < amber10_nvidia_cude_support_v0.1.patch
>> > which is completely successful.
>> >
>> > However "make" tells me:
>> >
>> > prmtop_dat.f90:1131.2:
>> >
>> > glb_natex(:) = 0
>> > 1
>> > Error: Unclassifiable statement at (1)
>> >
>> > Any ideas?
>>
>> Unfortunately I have not had time to update the patch to be compatible
>> with
>> bugfix.26 and thus you can only use a bugfix.all up to bugfix.25. I
>> have
>> been focusing on finishing things for AMBER 11 which is why this was
>> not
>> done. It will also soon be replaced by the AMBER 11 version which will
>> include both GB and PME support.
>>
>> In the meantime please untar a brand new AMBER 10 tree and apply the
>> attached bugfix files and try compiling again.
>>
>> All the best
>> Ross
>>
>> /\
>> \/
>> |\oss Walker
>>
>> | Assistant Research Professor |
>> | San Diego Supercomputer Center |
>> | Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
>> | http://www.rosswalker.co.uk | http://www.wmd-lab.org/ |
>>
>> Note: Electronic Mail is not secure, has no guarantee of delivery, may
>> not
>> be read every day, and should not be used for urgent or sensitive
>> issues.
>>
>>
>>
>
>
>
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Received on Wed Apr 14 2010 - 14:30:02 PDT
