[Pw_forum] IOTK Errors and Ifort Compilers

[Paolo Giannozzi]

There isn't much that can be done, apart going into the code
and trying to figure out where (and maybe why) the problem
arises (presumably, in Modules/read_upf_v2.f90).
If the executable that works on your local machine is
portable to the HPC, try to execute it. If it also fails, it
may point to something strange with the I/O system
of the HPC. Note that pseudopotential files are read in
parallel by all processors.

Paolo


On Feb 16, 2013, at 19:31 , Ben Palmer wrote:

> Hi Paolo/Everyone,
>
> The 5.02 version has been downloaded and compiled with ifort v13  
> and gcc.  When I run on my local computer, with QE 5.0.2 compiled  
> with gcc, it runs fine.  When I run on our HPC, either the ifortv13  
> or gcc, there is an IOTK error.
>
> I've attached my local in/out files, the bluebear (our HPC) input  
> and output files (only difference in input file are the  
> directories) and the moab error files (one for ifort v13 and one  
> for gcc).
>
> There are some unneccessary sections in my input files, but it runs  
> fine with 2 processors on my computer, but not on the hpc.  We've  
> also tried it with 1, 2 or 16 cores and still the same IOTK error.
>
> All the best,
>
> Ben
>
>> On Feb 11, 2013, at 18:16 , Ben Palmer wrote:
>>
>>> I'm having a few IOTK errors with PWscf from the 5.0.1 suite on our
>>> University supercomputer, and have read that the probable cause  
>>> is the
>>> intel compiler.
>> I have never had any iotk problem with ifort, while I have had and  
>> seen
>> many with gfortran. The only case of trouble I am aware of, is the  
>> one
>> mentioned in the user guide with ifort v.12.0.0, which disappeared in
>> subsequent versions.
>>
>> P.
>> ---
>> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
>> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
>> Phone +39-0432-558216, fax +39-0432-558222
>>
>>
>>
>>
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>
> <local.in><local.out><bluebear.in><bluebear.out><job_gcc.o10718.txt><j 
> ob_ifort13.o9872.txt>_______________________________________________
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---
Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222