Hello there
I'm running tests with QE version 6.0 and i'm having repeatedly the same
errors, no matter what compiler version (gfortran 4.8.2 and 5.3.0) ,
library (openblas, atlas, netlib) openmpi version (1.8.8 , 1.10.4) or
flags used. The results differ from the expected always in the exact
Em 21-09-2016 02:39, Paolo Giannozzi escreveu:
>
> On Wed, Sep 21, 2016 at 7:20 AM, Fabricio Cannini <fcann...@gmail.com
> <mailto:fcann...@gmail.com>> wrote:
>
>
> However, I'm no longer able to compile Phonon with the version you
> sent me, which is
Em 21-09-2016 02:20, Fabricio Cannini escreveu:
> Em 10-09-2016 04:17, Paolo Giannozzi escreveu:
>> Tests are typically small. When run on many processors, they may give
>> some funny errors. It was nothing to worry about, but I fixed it anyway
>> in the developme
Em 10-09-2016 04:17, Paolo Giannozzi escreveu:
> Tests are typically small. When run on many processors, they may give
> some funny errors. It was nothing to worry about, but I fixed it anyway
> in the development version. Thank you for reporting these errors
>
> Paolo
Hi Paolo, Filippo
The
Em 09-09-2016 03:15, Paolo Giannozzi escreveu:
> It does not look like a true bug, because the out-of-bound array element
> is not used when the array is zero-sized. How many processors did you
> use to make your test, by the way? at least one processor has no G-vectors
I can reliably trigger
Em 06-09-2016 19:26, Filippo SPIGA escreveu:
> On Sep 5, 2016, at 6:19 PM, Fabricio Cannini <fcann...@gmail.com> wrote:
>> I can make some more tests if it helps, just tell me what to do.
>
> Grab this latest full snapshot of QE SVN repo I just generated
> http://qe-forg
Em 05-09-2016 14:11, Paolo Giannozzi escreveu:
> ... and, I think, only the case in which the physical dimensions of FFT
> arrays are larger than the FFT dimensions
Hi Filippo and Paolo,
I can make some more tests if it helps, just tell me what to do.
[ ]'d
Em 04-09-2016 10:08, Filippo SPIGA escreveu:
> Dear Fabricio,
Hello Filippo,
> are you running these tests manually or via test-suite?
I'm running the tests via test-suite.
> Well, the error messages are quite clear so it is a matter of investigate if
> these are repsoducible. We are tracking
Hello there
I'm facing errors in a few tests of espresso 5.4.0.
I'm compiling it a centos 6.x machine in the following manner:
=
FC = intel 15.0
MPI = impi 5.0
BLAS/LAPACK = mkl 11.2
FFT = fftw 3.3.5
BLAS_LIBS="-lmkl_intel_lp64
On 28-04-2016 10:00, Filippo SPIGA wrote:
> Hello Fabricio,
>
> On Apr 25, 2016, at 10:46 PM, Fabricio Cannini <fcann...@gmail.com> wrote:
>> I'm not sseing 'QE-GPU-5.4.0.tar.gz' on the qe-forge link, and no
>> mention of it in 'Doc/release-notes'. Am I missing so
On 25-04-2016 17:09, Filippo SPIGA wrote:
> Dear everybody,
>
> I am pleased to announce you that version 5.4.0 of Quantum ESPRESSO (SVN
> revision r12350) is now available for download.
>
> You can find all related packages published on the QE-FORGE website at this
> link:
>
On 07-08-2014 09:48, Carlo Nervi wrote:
> I completely agree with Axel, expecially speaking about a middle-range
> machine (as mine, for example, a linux home-assembled server with a
> careful look at the costs).
I was under the same impression that SSDs have a shorter life span than
HDDs, but
2014-07-12 10:36 GMT-03:00 Filippo Spiga :
> Dear Fabricio,
>
Hi Filippo
> On Jul 11, 2014, at 2:55 AM, Fabricio Cannini wrote:
> > ./configure BLAS_LIBS=-lopenblas
> > MANUAL_DFLAGS="-D__DISABLE_CUDA_ADDUSDENS -D__DISABLE_CUDA_VLOCPSI"
> > --enable-cud
On 08-07-2014 06:42, Filippo Spiga wrote:
> Dear Fabricio,
>
> On Jul 8, 2014, at 12:04 AM, Fabricio Cannini
> wrote:
>> I'm using 14.06 version of qe-gpu from here [
>> https://github.com/fspiga/QE-GPU/ ] . Strangely, it has no
>> 'espresso-5.1' directory nor
Hi there
I'm having trouble compiling espresso 5.0.2 with cuda 6.0 on a Centos
6.5 x86_64 machine. ( gcc 4.4.x )
I'm using 14.06 version of qe-gpu from here [
https://github.com/fspiga/QE-GPU/ ] . Strangely, it has no
'espresso-5.1' directory nor 'espresso-5.0_GPU-14.06.patch' . Is it ok ?
Em 04-06-2014 13:42, Muthu V escreveu:
> Dear users
> usually i install QE by installing FFTW lib and Fortran complier.
> everything goes fine with serial and parallel installation of QE.
>
> but i heard that using intel C++, fortran (ifort, icc ) compliers for
> intel core(i am using intel i5
Em 14-04-2014 13:51, ??? escreveu:
Hi there.
> 2.For PP/examples, still the same error: gamma_only case not implemented
IIRC, this was fixed in 5.0.3 .
I'm afraid i can't answer your other questions.
> I don?t know its specific reasons.
>
> 3.For testfiles under PWCOND, there is one common
Em 05-02-2014 21:16, Vo, Trinh (398C) escreveu:
> Dear QE users,
>
> In compiling QE in order to know whether the external fftw library
> included in Intel MKL (version 13) is used, instead of internal fftw
> is used, I changed the name of the file "fftw.c" in the directory "clib"
> into
Em 24-01-2014 15:02, Axel Kohlmeyer escreveu:
> On Fri, Jan 24, 2014 at 11:57 AM, BENYAHIA NEZHA
> wrote:
>> Hello,
>> I'am using quantum espresso in my searches, but i'am still a beginner in
>> this domain. I have faced a problem in which it prevent me to compile my
>> program, i have looked
Em 12-12-2013 08:20, Ivan Girotto escreveu:
Hi there
I've finally figured out the problem.
First, i changed the benchmark to DEISA Medium so that i could use a
wider range of machines, as it ( predictably ) used less than half of
the memory than the PRACE medium benchmark demanded. Then i
Hi there
I'm running some tests on the following machine :
- 2x AMD Opteron 6380 ( 32 cores )
- 64GB RAM
- Ubuntu 12.04 ( gfortran 4.6, fftw 3.3.1, openblas 0.2.8, openmpi 1.4.3 )
Using these benchmarks :
- Medium size DEISA benchmark :
Em 12-12-2013 08:20, Ivan Girotto escreveu:
> Dear Fabricio,
>
> I reckon there is some inconsistency in the results you are obtaining.
> The AMD 6380 is a 16-core model. I'm wondering how do you map the
> process affinity while running on 8 cores.
> Without controlling such mapping you can obtain
Em 12-12-2013 08:20, Ivan Girotto escreveu:
> Dear Fabricio,
>
> I reckon there is some inconsistency in the results you are obtaining.
> The AMD 6380 is a 16-core model. I'm wondering how do you map the
> process affinity while running on 8 cores.
> Without controlling such mapping you can obtain
Em 11-12-2013 15:51, Paolo Giannozzi escreveu:
> On Tue, 2013-12-10 at 19:49 -0200, Fabricio Cannini wrote:
>> Em 10-12-2013 18:34, Paolo Giannozzi escreveu:
>>> First of all you should verify if multi-threading libraries
>>> are conflicting with MPI paralleliza
Em 10-12-2013 18:34, Paolo Giannozzi escreveu:
> First of all you should verify if multi-threading libraries
> are conflicting with MPI parallelization.
Yes, i did look into it already.
I can send you the 'make.sys' files of all compilations if it helps .
TIA,
Fabricio
Em 10-12-2013 06:01, Paolo Giannozzi escreveu:
> First of all: why do you want to use an old QE version? P.
Because the problem is of a client of mine, and he is using this very
version , so I'm trying to reproduce the problem as exactly as possible.
Also, I'm a sysadmin, not a scientist . ;)
Hi All
I'm facing a very strange situation with the above version of QE,
compiled with :
- intel 12.1.3
- mkl 10.0,
- fftw 3.2.2 ( OS package )
- openmpi 1.4.5
Running 'prace-medium' benchmark as a test .
http://qe-forge.org/gf/project/q-e/frs/?action=FrsReleaseView_id=47
The OS is centos
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