[Wien] Bug with lapwso_mpi and ifort 18

[Peter Blaha]

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
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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