[Wien] Bug with lapwso_mpi and ifort 18

[Laurence Marks]

Also, maybe try

read(9,err=999)mist
999  continue

On Wed, Oct 11, 2017 at 9:59 AM, Peter Blaha
<pblaha at theochem.tuwien.ac.at> wrote:
> Looks very strange.
>
> It happens only in mpi mode ?
>
> Just one try:
>
> replace
>
> read(9)
> read(9) mist
>
> In fact, all what that statement should do is skipping one line (record)
> in this unformatted vector file (which contains the same numbers
> (E-parameters for LAPW) as the first line in the energy files).
>
> You may also print*, i,mist
>
> to see if it happens already for the first atom.
>
> PS: Naively, I would have expected that it has to do with this
> -assume  bufferedio
> which is (sometimes) broken in ifort17. And clearly, this file has been
> read before, then rewinded and then is read again.
>
> On 10/11/2017 04:38 PM, MCDERMOTT Eamon 250772 wrote:
>> Dear all,
>>
>>
>>
>> I have noticed a bug with the combination of lapwso_mpi (WIEN2k 17.1)
>> and ifort 18.0.0 (20170811).
>>
>>
>>
>> On a well-formed case that works properly when lapwso_mpi is compiled
>> with ifort  15.0.6, I get crashes on each process shortly after startup
>> like the following:
>>
>>
>>
>> forrtl: severe (24): end-of-file during read, unit 9, file
>> /path/case/./case.vector_1
>>
>> Image              PC                Routine            Line        Source
>>
>> lapwso_mpi         00000000004916D8  Unknown               Unknown  Unknown
>>
>> lapwso_mpi         00000000004B6065  Unknown               Unknown  Unknown
>>
>> lapwso_mpi         000000000048ABB6  get_nloat_                 16
>> get_nloat.f
>>
>> lapwso_mpi         000000000044A361  MAIN__                    144  lapwso.F
>>
>> lapwso_mpi         0000000000406C5E  Unknown               Unknown  Unknown
>>
>> libc-2.12.so       0000003FA401ED5D  __libc_start_main     Unknown  Unknown
>>
>> lapwso_mpi         0000000000406B69  Unknown               Unknown  Unknown
>>
>>
>>
>> in get_nloat.f this line is simply “read(9)”, so I’m guessing there has
>> been some change in raw file access in this ifort version.
>>
>>
>>
>> This crash does not seem to be dependent on optimizations, as I can
>> reproduce it with
>>
>> FPOPT=-O0 -g -FR -traceback -I$(MKLROOT)/include
>>
>>
>>
>> Adding –assume bufferedio (or –assume nobufferedio) does not make a
>> difference.
>>
>>
>>
>> Trapping the IO error on this line and exiting simply causes a later
>> segfault, so there is something more complicated happening here than
>> just reading off the end of the file at the end of the routine:
>>
>>
>>
>> forrtl: severe (174): SIGSEGV, segmentation fault occurred
>>
>> Image              PC                Routine            Line        Source
>>
>> lapwso_mpi         000000000047358D  Unknown               Unknown  Unknown
>>
>> libpthread-2.12.s  0000003BE880F7E0  Unknown               Unknown  Unknown
>>
>> libiomp5.so        00002AAEF045B23D  Unknown               Unknown  Unknown
>>
>> libiomp5.so        00002AAEF045B040  Unknown               Unknown  Unknown
>>
>> libiomp5.so        00002AAEF045AF6E  Unknown               Unknown  Unknown
>>
>> libiomp5.so        00002AAEF045C039  Unknown               Unknown  Unknown
>>
>> libiomp5.so        00002AAEF045D7CB  Unknown               Unknown  Unknown
>>
>> libiomp5.so        00002AAEF0454F6E  Unknown               Unknown  Unknown
>>
>> libiomp5.so        00002AAEF0455B6C  Unknown               Unknown  Unknown
>>
>> lapwso_mpi         000000000049F07B  Unknown               Unknown  Unknown
>>
>> lapwso_mpi         000000000040C4CC  rotmat_mp_init_ro         229
>> modules.F
>>
>> lapwso_mpi         000000000043027E  MAIN__                    146  lapwso.F
>>
>> lapwso_mpi         0000000000406D5E  Unknown               Unknown  Unknown
>>
>> libc-2.12.so       0000003BE7C1ED5D  __libc_start_main     Unknown  Unknown
>>
>> lapwso_mpi         0000000000406C69  Unknown               Unknown  Unknown
>>
>>
>>
>>
>>
>>
>>
>> Any ideas? I may be forced to upgrade soon (some Intel cluster license
>> SNAFU)…
>>
>>
>>
>>
>>
>> --
>>
>> Eamon McDermott
>>
>> CEA Grenoble
>>
>> DRT/LETI/DTSI/SCMC
>>
>>
>>
>>
>>
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>
> --
>
>                                        P.Blaha
> --------------------------------------------------------------------------
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-- 
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what
nobody else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu ; Corrosion in 4D: MURI4D.numis.northwestern.edu
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