Edoapra, thanks for the suggestions. I already see CRAY_XT set in that config.h file:
$ grep CRAY_XT config.h
#define CRAY_XT 1
/* #undef SPAWN_CRAY_XT */
Trying to make FC=ftn results in the same error:
$ make FC=ftn
make all-am
make[1]: Entering directory `/scratch/astreib/nwchem-6.3.revision2-src.2013-10-17/src/tools/build/armci'
source='../../ga-5-2/armci/src-portals/armci.c' object='src-portals/armci.lo' libtool=yes \
DEPDIR=.deps depmode=none /bin/sh ../../ga-5-2/armci/build-aux/depcomp \
/bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../../ga-5-2/armci -I../../ga-5-2/armci/src-portals -I../../ga-5-2/armci/src/include -c -o src-portals/armci.lo ../../ga-5-2/armci/src-portals/armci.c
libtool: compile: cc -DHAVE_CONFIG_H -I. -I../../ga-5-2/armci -I../../ga-5-2/armci/src-portals -I../../ga-5-2/armci/src/include -c ../../ga-5-2/armci/src-portals/armci.c -o src-portals/armci.o
PGC-F-0249-#error -- cannot run (../../ga-5-2/armci/src-portals/locks.h: 16)
PGC/x86-64 Linux 12.10-0: compilation aborted
make[1]: *** [src-portals/armci.lo] Error 1
make[1]: Leaving directory `/scratch/astreib/nwchem-6.3.revision2-src.2013-10-17/src/tools/build/armci'
make: *** [all] Error 2
I'll try the forum you suggested.
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