[Q-e-developers] Compiling error on Cray XE6 (UNCLASSIFIED)

[Filippo Spiga]

Dear Paolo,

On Aug 16, 2012, at 10:12 PM, Paolo Giannozzi <giannozz at democritos.it> wrote:
> On Aug 16, 2012, at 11:51 , Filippo Spiga wrote:
> 
>> I do not see a any reasonable reason to compile QE using Intel compiler on a CRAY, the PGI compiler (usually the default) works. Moreover it is weird that mpif90 is called because CRAY systems the correct FORTRAN compiler is always "ftn" (that is actually a wrapper to whatever compiler is selected through the modules loaded). Anyway, I am currently using the CRAY XE6 installed at CSCS in Switzerland (MonteRosa) and I simply use the PGI compiler and the default CRAY LibSci.
> 
> before leaving for vacations, I had a different report by Giovanni Pizzi (CC: here) for
> exactly the same machine: various problems with the cray compiler, either in the
> compilation phase or in execution. I was surprised because the ftn compiler on cray
> has always been working very reliably. Did you need ./configure --disable-wrappers
> to prevent ./configure from stopping in the C-to-fortran interface check, by the way?

From my experience no, I never had big or blocking problems with the ftn/cc wrappers. However I have to admit that despite CRAY provide an "uniform and fairly easy" environment, every machine is unique. My experience on CRAY systems can be summarized in this way:
- PGI compiler (loading pgi-env) + CRAY LibSci + ftn/cc wrappers  --> ok 
- CRAY compiler (loading cray-env) + CRAY LibSci + ftn/cc wrappers  --> compilation fails
- PGI compiler (loading pgi-env) + CRAY LibSci + ftn/cc wrappers + CUDA (XK6 machines)  --> ok 
- Intel compiler (loading intel-env) + MKL + ftn/cc wrappers + CUDA (XK6 machines)  --> ok (but I tried only few times)
- Intel compiler (loading intel-env) + ACML + ftn/cc wrappers + CUDA (XK6 machines)  --> ok (but I tried only few times)

On a CRAY testing machine (so, not a common case) I had to unload some modules ("$ module unload atp totalview-support xt-totalview hss-llm"), This is the only "weird" thing I did to compile and run QE.

I did not mention in my previous email the option "--disable-wrapper: because I was curious to hear from Miller if using PGI compiler (instead of Intel) and "ARCH=crayxt" was enough to solve the problem. Of course if something goes wrong the first thing that I probably would suggest is to try --disable-wrapper but also I would check if there is some error/mistake/typo in the modulefile. That's something that the user support people should do, not the user.

@Giovanni, I wrote an email to Emine with some hints related to Monte Rosa. She has more details for that specific machine.

HTH

Ciao!
F.
 
--
Mr. Filippo SPIGA, M.Sc., Ph.D. Candidate 
CADMOS - Chair of Numerical Algorithms and HPC (ANCHP)
École Polytechnique Fédérale de Lausanne (EPFL)
http://anchp.epfl.ch ~ http://filippospiga.me ~ skype: filippo.spiga

«Nobody will drive us out of Cantor's paradise.» ~ David Hilbert

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