Hi,
On Mon, Mar 26, 2018 at 01:23:25PM -0400, Scott Brozell wrote:
> On Mon, Mar 26, 2018 at 07:41:24AM -0600, David A Case wrote:
> > 1. Concerning Intel 2018 compilers: can you do this:
> >
> > cd $AMBERHOME/test/dhfr
> > ./Run.dhfr
> > mv mdout.dhfr mdout.dhfr.sander (assuming some failure occured)
> > TESTsander=../../bin/pmemd ./Run.dhfr
> >
> > And send me the mdout.dhfr files plus info that comes to stdout/stderr?
> > I'm trying to see if there are hints in the mdout file about what is
> > going on.
Note that the sander tests passed; it is pmemd.
I just sent you mdout.dhfr.pmemd (nothing useful from std*) from
TESTsander "$AMBERHOME/bin/pmemd"; cd dhfr && ./Run.dhfr
> > I think there is no point for anyone to continue to report hundreds of
> > errors with Intel 18. But if you see ideas (e.g. compiler flags) that
> > help, plese send that information along.
>
> I blew away my 18.0.0 build. I now have access to 18.0.2 and will
> build with and report dhfr.
18.0.2 has a compiler crash building nblist.o; see tail for details.
> > 2. In the configure2 script, we already create cc_version_major and
> > fc_version_major variables. I think we just need to check them in the
> > intel compiler section, and output an error message ("Sorry: we have not
> > yet had time to get Amber to work with the 2018 versions of Intel
> > compilers") if one finds version 18.
pushed.
scott
ps
icc version 18.0.2 (gcc version 4.8.5 compatibility)
make[2]: Entering directory `/tmp/amber/amber18/AmberTools/src/sff'
...
icc -c -Dflex -ip -O3 -std=gnu99 -xHost -fPIC -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DHASGZ -DHASBZ2 -D__PLUMED_HAS_DLOPEN -DRISMSFF -I/tmp/amber/amber18/include -o nblist.o nblist.c
nblist.c(883): warning #3180: unrecognized OpenMP #pragma
#pragma omp parallel reduction (+: totpair) \
^
": internal error: ** The compiler has encountered an unexpected problem.
** Segmentation violation signal raised. **
Access violation or stack overflow. Please contact Intel Support for assistance.
compilation aborted for nblist.c (code 4)
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Received on Mon Mar 26 2018 - 12:30:04 PDT
