[molpro-user] Molpro2009.1 parallel mode problem
Radoslaw Stachowski
radoslaw.stachowski at pwr.wroc.pl
Mon Jul 12 14:20:17 BST 2010
Hello
The problem is I cannot run molpro in parallel mode.
Compilation is ok, there are no suspicious logs.
my CONFIG file:
CONFIGURE_OPTIONS="-x86_64" "-icc" "-ifort" "-mpp"
"-mppbase" "/usr/mpi/intel/mvapich2-1.0.3/include/"
"-var" "INSTBIN=/home/stach008/molpro2009"
"-var" "INSTLIB=/home/stach008/molpro2009"
"-var" "INSTHTML=/home/stach008/molpro2009"
BLASLIB=-L/opt/intel/Compiler/11.1/064/mkl/lib/em64t -lmkl_intel_ilp64 -lmkl_sequential -lmkl_core
CC=/opt/intel/Compiler/11.1/064/bin/intel64/icc
CCVERSION=11.1
CC_FRONT=
CDEBUG=-g
CDEFINE=-D
CFLAGS=-ftz -fPIC -vec-report0 -DMOLPROC_PAR -DINT64 -DZLIB
CLEARSPEEDLIB=
CMPPINCLUDE=/usr/mpi/intel/mvapich2-1.0.3/include
CSFLAGS=-O3 -I. --dynamic
FC=/opt/intel/Compiler/11.1/064/bin/intel64/ifort
FCVERSION=11.1
FTCFLAGS=molpro unix unix-i8 Linux lapack sf eaf mpi-io mpi2 mpp blas1 blas2 blas3
F_OPT0=
F_OPT1=nevpt2_optrpc.f explicit_util.f artwo2.f drv2el_l3ext_lmp2g.f drv2el_l3ext_cen.f rmp2_f12_drv2.f90 ri_lmp2g.f df_llmp2.f
F_OPT2=integrals.f90 RL4gen1.f basis_integral_shells.f
LAUNCHER=/usr/mpi/intel/mvapich2-1.0.3/bin/mpiexec -machinefile %h -np %n %x
LD_ENV=/opt/intel/Compiler/11.1/064/lib/intel64:/opt/intel/Compiler/11.1/064/mkl/lib/em64t
LD_ENVNAME=LD_LIBRARY_PATH
LAUNCHER=/usr/mpi/intel/mvapich2-1.0.3/bin/mpiexec -machinefile %h -np %n %x
LD_ENV=/opt/intel/Compiler/11.1/064/lib/intel64:/opt/intel/Compiler/11.1/064/mkl/lib/em64t
LD_ENVNAME=LD_LIBRARY_PATH
MPILIB=-i-dynamic -I/usr/mpi/intel/mvapich2-1.0.3/include -L/usr/lib64 -L/usr/mpi/intel/mvapich2-1.0.3/lib -Wl,-rpath -Wl,/usr/mpi/intel/mvapich2-1.0.3/lib -lmpich -L/usr/lib64 -lrdmacm -libverbs -libumad -lpthread -lrt
MPPLIB=
OBJECT_SUFFIX=o
OWNERPOS=3
PAPER=a4paper
PARSE=parse-Linux-x86_64-i8.o
PATCHER=patcher.exe
PDFLATEX=
PNAME=molprop_2009_1_Linux_x86_64_i8
PTSIZE=11
RANLIB=ranlib
RM=rm -rf
SHAREDLIBFLAGS=-shared --whole-archive ../lib/libmolpro.a --no-whole-archive -rpath-link . -L/opt/intel/Compiler/11.1/064/lib/intel64 -lsvml
SHAREDLIBSUFFIX=so
SHELL=/bin/sh
.SUFFIXES:
MAKEFLAGS+=-r
I use PBS in interactive mode (for testing)[$ qsub -I -l mem=7200mb -l nodes=2L:ppn=2].
After taping ./molprop_2009_1_Linux_x86_64_i8 ~/1.inp I get:
"mpiexec_nova: cannot connect to local mpd (/tmp/mpd2.console_stach008); possible causes:
1. no mpd is running on this host
2. an mpd is running but was started without a "console" (-n option)
In case 1, you can start an mpd on this host with:
mpd &
and you will be able to run jobs just on this host.
For more details on starting mpds on a set of hosts, see
the MPICH2 Installation Guide."
So I start mpd daemons manually.
/usr/mpi/intel/mvapich2-1.0.3/bin/mpdboot -n 2 -f mpd_host (I`ve requested from PBS 2 nodes and 2 proc per node)
and run ./molprop_2009_1_Linux_x86_64_i8 ~/1.inp (1.inp - just a test job input file)
and I get this error :
molprop_2009_1_Linux_x86_64_i8.exe: rdma_iba_1sc.c:472: MPIDI_CH3I_RDMA_win_create: Assertion `MPIDI_CH3I_RDMA_Process.current_win_num <= (16)' failed.
molprop_2009_1_Linux_x86_64_i8.exe: rdma_iba_1sc.c:472: MPIDI_CH3I_RDMA_win_create: Assertion `MPIDI_CH3I_RDMA_Process.current_win_num <= (16)' failed.
molprop_2009_1_Linux_x86_64_i8.exe: rdma_iba_1sc.c:472: MPIDI_CH3I_RDMA_win_create: Assertion `MPIDI_CH3I_RDMA_Process.current_win_num <= (16)' failed.
molprop_2009_1_Linux_x86_64_i8.exe: rdma_iba_1sc.c:472: MPIDI_CH3I_RDMA_win_create: Assertion `MPIDI_CH3I_RDMA_Process.current_win_num <= (16)' failed.
forrtl: error (76): Abort trap signal
Image PC Routine Line Source
libc.so.6 000000349542E21D Unknown Unknown Unknown
libc.so.6 000000349542FA1E Unknown Unknown Unknown
libc.so.6 0000003495427AE1 Unknown Unknown Unknown
libmpich.so 00002AE1422B60B7 Unknown Unknown Unknown
libmpich.so 00002AE14224AB83 Unknown Unknown Unknown
libmpich.so 00002AE142299DD8 Unknown Unknown Unknown
libmpich.so 00002AE1422F1B92 Unknown Unknown Unknown
molprop_2009_1_Li 00000000021444B6 Unknown Unknown Unknown
molprop_2009_1_Li 0000000002143DE2 Unknown Unknown Unknown
molprop_2009_1_Li 0000000002143BB6 Unknown Unknown Unknown
molprop_2009_1_Li 0000000001258EBB Unknown Unknown Unknown
molprop_2009_1_Li 00000000012548BF Unknown Unkforrtl: error (76): Abort trap signal
Image PC Routine Line Source
libc.so.6 000000349542E21D Unknown Unknown Unknown
libc.so.6 000000349542FA1E Unknown Unknown Unknown
libc.so.6 0000003495427AE1 Unknown Unknown Unknown
libmpich.so 00002AF52EBE00B7 Unknown Unknown Unknown
libmpich.so 00002AF52EB74B83 Unknown Unknown Unknown
libmpich.so 00002AF52EBC3DD8 Unknown Unknown Unknown
libmpich.so 00002AF52EC1BB92 Unknown Unknown Unknown
molprop_2009_1_Li 00000000021444B6 Unknown Unknown Unknown
molprop_2009_1_Li 0000000002143DE2 Unknown Unknown Unknown
molprop_2009_1_Li 0000000002143BB6 Unknown Unknown Unknown
molprop_2009_1_Li 0000000001258EBB Unknown Unknown Unknown
molprop_2009_1_Li 00000000012548BF Unknown Unknown Unknown
molprop_2009_1_Li 00000000004C3219 Unknown Unknown Unknown
molprop_2009_1_Li 00000000004BDF65 Unknown Unknown Unknown
molprop_2009_1_Li 000000000043D56C Unknown Unknown Unknown
libc.so.6 000000349541C3FB Unknown Unknown Unknown
molprop_2009_1_Li 000000000043D49A Unknown Unknown Unknown
nown Unknown
molprop_2009_1_Li 00000000004C3219 Unknown Unknown Unknown
molprop_2009_1_Li 00000000004BDF65 Unknown Unknown Unknown
molprop_2009_1_Li 000000000043D56C Unknown Unknown Unknown
libc.so.6 000000349541C3FB Unknown Unknown Unknown
molprop_2009_1_Li 000000000043D49A Unknown Unknown Unknown
forrtl: error (76): Abort trap signal
Image PC Routine Line Source
libc.so.6 000000349542E21D Unknown Unknown Unknown
libc.so.6 000000349542FA1E Unknown Unknown Unknown
libc.so.6 0000003495427AE1 Unknown Unknown Unknown
libmpich.so 00002B5261EBA0B7 Unknown Unknown Unknown
libmpich.so 00002B5261E4EB83 Unknown Unknown Unknown
libmpich.so 00002B5261E9DDD8 Unknown Unknown Unknown
libmpich.so 00002B5261EF5B92 Unknown Unknown Unknown
molprop_2009_1_Li 0000000002144499 Unknown Unknown Unknown
molprop_2009_1_Li 0000000002143DE2 Unknown Unknown Unknown
molprop_2009_1_Li 0000000002143BB6 Unknown Unknown Unknown
molprop_2009_1_Li 0000000001258EBB Unknown Unknown Unknown
molprop_2009_1_Li 00000000012548BF Unknown Unknown Unknown
Any ideas?
I will appreciate any help.
Cheers,
Radosław Stachowski
More information about the Molpro-user
mailing list