Hello,
does pmemd compile (and run) on a BlueGene/P? I tried to derive a
config file from
http://ambermd.org/config.bgl.html (works fine for our
BG/L by the way) but was unsucessful in compiling.
I would like to be more specific but unfortunately our compiler
installation seems to be messed up because the cat file that would
probably tell me what is wrong is obviously installed in the wrong
place.
/opt/ibmcmp/xlf/bg/11.1/exe/cpp -I/home/hhl/usr/include
-I/bgsys/drivers/ppcfloor/include -DFFTW_FFT -DBINTRAJ -DMPI
-DDIRFRC_EFS -DIRFRC_COMTRANS -DSLOW_INDIRECTVEC -DNO_C_UNDERSCORE
parallel_dat.fpp parallel_dat.f90
(E) Message system initialization, unable to open catalogs:
vacfe.cat, /opt/ibmcmp/xlf/11.1/msg/en_US/vacfe.cat.
1506-005: (E) Error in message set 12, unable to retrieve message 296.
make[1]: *** [parallel_dat.o] Error 1
================== first trial at config.bgp ======================
MATH_DEFINES =
MATH_LIBS = -L$MASSVP_LIBDIR -lmassv
DIRFRC_DEFINES = -DDIRFRC_EFS -DIRFRC_COMTRANS -DSLOW_INDIRECTVEC
#F90 = bgf90
#CC = bgxlc
#LOAD = bgf90
F90 = mpixlf90
CC = mpixlc
LOAD = mpixlf90
FFT_INCLUDEDIR = /home/hhl/usr/include
FFT_LIBDIR = /home/hhl/usr/lib
FFT_DEFINES = -DFFTW_FFT
FFT_INCLUDE = -I$(FFT_INCLUDEDIR)
FFT_LIBS = -L$(FFT_LIBDIR) -lfftw3
NETCDF_HOME = /home/hhl/usr
NETCDF_DEFINES = -DBINTRAJ
NETCDF_MOD = netcdf.mod
NETCDF_LIBS = $(NETCDF_HOME)/lib/libnetcdf.a
MPI_DEFINES = -DMPI
MPI_INCLUDE = -I/bgsys/drivers/ppcfloor/include
MPI_LIBS = -L/bgsys/drivers/ppcfloor/lib -lmpich.rts -lmsglayer.rts
-lrts.rts -ldevices.rts
CPP = /opt/ibmcmp/xlf/bg/11.1/exe/cpp
CPPFLAGS =
F90_DEFINES = -DNO_C_UNDERSCORE
MODULE_SUFFIX = mod
CPUFLAGS = -qarch=450d -qtune=450
F90FLAGS = $(CPUFLAGS) -qsuffix=f=f90 -qdpc -c
F90_OPT_DBG = -g -O0
F90_OPT_LO = -qmaxmem=-1
F90_OPT_MED = -qmaxmem=-1 -O
F90_OPT_HI = -O3 -qstrict -qhot
F90_OPT_DFLT = $(F90_OPT_HI)
CFLAGS = $(CPUFLAGS) -DNO_C_UNDERSCORE
LOADFLAGS =
LOADLIBS = -lm
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Received on Fri Feb 06 2009 - 01:20:08 PST
