Re: [AMBER-Developers] 31 March release candidates for Amber

From: Tyler Luchko <tluchko.rci.rutgers.edu>
Date: Thu, 1 Apr 2010 13:46:19 -0400

Did you have this issue with the previous release candidate?

It looks like it is failing because it can't remove an old file. However, this is in Intel's makefile and not one of ours.

Tyler

On 2010-04-01, at 12:43 PM, Jason Swails wrote:

> Hello,
>
> I figured I'd report this here, since it's an issue with compilation...
>
> Linux x86_64; ifort/icc 10.1.015; MKL 10.0.2.018
>
> Compilation error with AmberTools (fails in fftw-2)
>
> if [ "/scratch/crn/aer/swails/newamber/04.01.10/amber11/lib/libfftw2xf_intel.a"
> = '/scratch/crn/aer/swails/newamber/04.01.10/amber11/lib/libfftw2xf_intel.a'
> ]; then\
> cd /opt/intel/mkl/10.0.2.018/interfaces/fftw2xf && make libem64t \
> compiler=intel PRECISION=MKL_DOUBLE \
> INSTALL_DIR=/scratch/crn/aer/swails/newamber/04.01.10/amber11/lib; \
> else \
> cd ../fftw-2.1.5 && make install; \
> fi
> make[2]: Entering directory `/opt/intel/mkl/10.0.2.018/interfaces/fftw2xf'
> make clean ../../lib/em64t/libfftw2xf_intel.a _IA=em64t
> make[3]: Entering directory `/opt/intel/mkl/10.0.2.018/interfaces/fftw2xf'
> rm -f ../../lib/em64t/libfftw2xf_intel.a *.o
> rm: cannot remove `../../lib/em64t/libfftw2xf_intel.a': Permission denied
> make[3]: *** [clean] Error 1
> make[3]: Leaving directory `/opt/intel/mkl/10.0.2.018/interfaces/fftw2xf'
> make[2]: *** [libem64t] Error 2
> make[2]: Leaving directory `/opt/intel/mkl/10.0.2.018/interfaces/fftw2xf'
> make[1]: *** [/scratch/crn/aer/swails/newamber/04.01.10/amber11/lib/libfftw2xf_intel.a]
> Error 2
> make[1]: Leaving directory
> `/scratch/crn/aer/swails/newamber/04.01.10/amber11/AmberTools/src/nab'
> make: *** [serial] Error 2
>
> Any ideas?
>
> unset MKL_HOME; ./configure intel; make serial
>
> the above appears to work.
>
> Thanks!
> Jason
>
> On Thu, Apr 1, 2010 at 8:34 AM, case <case.biomaps.rutgers.edu> wrote:
>> Latest RC is here:
>>
>> http://ambermd.org/downloads/AmberTools.31mar10.tar.bz2
>> http://ambermd.org/downloads/Amber11.31mar10.tar.bz2
>>
>> Notes:
>>
>> 1. EVB tests are still broken, but I think that Dan and/or Mark are working
>> on that.
>>
>> 2. Does anyone use ti-decomp? Do we have an example (preferably small)
>> that is known to work? Do we know that Amber10 was working correctly?
>>
>> 3. This RC contains the cuda test cases (but not the 2_million_atom one).
>> But I haven't tested the CUDA stuff myself.
>>
>> 4. Please report most things to the wiki:
>> http://ambermd.org/pmwiki/pmwiki.php/Main/Amber11test
>>
>> I've updated a couple of platforms for this RC. If something becomes
>> obsolete, (e.g. gets fixed!) please remove it from the wiki, so that
>> we can keep that as clean as possible. (I reserve the right to edit or
>> remove things that get out of date.)
>>
>> Thanks to everyone who worked hard on running the test cases over the last
>> few days! There was a gigantic change of directory structure, which led to
>> glitches...I hope we are getting down more to "real" errors now.
>>
>> ....dac
>>
>>
>> _______________________________________________
>> AMBER-Developers mailing list
>> AMBER-Developers.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber-developers
>>
>
>
>
> --
> ---------------------------------------
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Graduate Student
> 352-392-4032
>
> _______________________________________________
> AMBER-Developers mailing list
> AMBER-Developers.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber-developers


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Received on Thu Apr 01 2010 - 11:00:03 PDT
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