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

[Giovanni Pizzi]

Dear all,
just to follow up, indeed my experience on the Cray system rosa.cscs.ch 
was similar to Filippo's one, i.e. Intel compiler working, CRAY compiler 
not working. The only difference being that I wasn't able to compile 
with PGI (probably because I wasn't aware of the IOTK workaround debug 
flag, and then I stopped trying when the intel compilation worked).

Giovanni


On 08/16/2012 05:21 PM, Filippo Spiga wrote:
> Dear Paolo,
>
> On Aug 16, 2012, at 10:12 PM, Paolo Giannozzi <giannozz at democritos.it 
> <mailto: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
>


-- 
Giovanni Pizzi
Post-doctoral Research Scientist
EPFL STI IMX THEOS
MXC 319 (Bâtiment MXC)
Station 12
CH-1015 Lausanne (Switzerland)
Phone: +41 21 69 31159

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/developers/attachments/20120820/abbbe8b4/attachment.html>