[CP2K:2538] problem compiling pdbg executable on cray with pathscale

Laino Teodoro teodor... at gmail.com
Fri Feb 5 21:07:49 CET 2010


Garold,

it is clearly a problem of the compiler: it is probable that the  
semantic of that module is too complex to be digested with that  
specific flag ON.

Teo
p.s.: just for confirm, your version should be 04feb10.


On 5 Feb 2010, at 21:00, garold wrote:

> Dear cp2k users/developers,
>
> Yesterday I obtained the 04feb09 cvs version of cp2k and compiled
> without problems a popt executable using pathscale compiler on a cray
> (hopper at nersc).  I first set up the environment using commands:
>
> module swap PrgEnv-pgi PrgEnv-pathscale
> export GOTO_NUM_THREADS=1
> export FORT_C_NAME=pathscale
>
> and then compiled with:
>
> make ARCH=Linux-x86-64-pathscale VERSION=popt
>
> Here is the arch file:
>
> CC       = cc
> CPP      = cpp
> FC       = ftn -target=linux
> LD       = ftn
> AR       = ar -r
> DFLAGS   = -D__XT3 -D__FFTSG\
>            -D__parallel -D__BLACS -D__SCALAPACK
> CPPFLAGS = -traditional -C $(DFLAGS) -P
> FCFLAGS  = -O2
> LDFLAGS  = $(FCFLAGS)
>
> OBJECTS_ARCHITECTURE = machine_xt3.o
>
> This produced a correct executable.
>
> The problem occurred when I then tried to compile a corresponding pdbg
> executable; using a very similar arch file; simply replacing
>
> FCFLAGS  = -O2
>
> with
>
> FCFLAGS  = -O0 -ffortran-bounds-check -g
>
> The compilation went fine for a while but then the compiler choked on
> the module dbcsr_operations.F; here are the relevant lines:
>
> cpp -traditional -C -D__XT3 -D__FFTSG -D__parallel -D__BLACS -
> D__SCALAPACK -P -D__COMPILE_ARCH="\"Linux-x86-64-pathscale\"" -
> D__COMPILE_DATE="\"Thu Feb  4 15:42:09 PST 2010\"" -
> D__COMPILE_HOST="\"hopper03\"" -D__COMPILE_LASTCVS="\"D\"" -I/scratch/
> scratchdirs/garold/cp2k_04feb10/makefiles/../src /scratch/scratchdirs/
> garold/cp2k_04feb10/makefiles/../src/dbcsr_operations.F >
> dbcsr_operations.f90
> ftn -target=linux -c -O0 -ffortran-bounds-check -g
> dbcsr_operations.f90
> /opt/cray/xt-asyncpe/3.4/bin/ftn: INFO: linux target is being used
> Signal: Segmentation fault in Front End Parse/Semantic phase.
> Error: Signal Segmentation fault in phase Front End Parse/Semantic --
> processing aborted
> *** Internal stack backtrace:
> pathf90-3.2 INTERNAL ERROR: /opt/pathscale/lib/3.2/mfef95 died due to
> signal 4
> make[1]: *** [dbcsr_operations.o] Error 1
> make[1]: Leaving directory `/scratch/scratchdirs/garold/cp2k_04feb10/
> obj/Linux-x86-64-pathscale/pdbg'
> make: *** [build] Error 2
>
> If I compile manually the post-processed (.f90) file in the obj
> directory it does work, provided I remove the flag -ffortran-bounds-
> check, i.e.:
>
> ftn -target=linux -c -O0 -g dbcsr_operations.f90
>
> Previous cp2k versions allowed this flag so is there something strange
> in this module?  Or is there a problem with the compiler (pathscale
> version 3.2)?
>
> Thank you,
> Garold
>
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