The ABINIT Users Mailing List ( CLOSED )

["Chun Li" <lichun@nuaa.edu.cn>]

Dear abinit users,

I compiled parallel abinit-4.6.5 on the linux cluster. The abinip was made 
successfully. The following is the makefile_macros file I used:

####################################################################
# For the sequential version

# Machine type
MACHINE=P6
# Fortran optimized compilation
#FC=/opt/intel/compiler50/ia32/bin/ifc # first time of the compilation of 
abinip, use this.
FC=/opt/mpich/intel/bin/mpif90   # After the failure of compilation, use this.
FFLAGS=-FR -O3 -w -cl,../Machine_dept_files/Intel_P6/my_work.pcl
FFLAGS_LIBS= -O3 -w

# C preprocessor, used to preprocess the fortran source.
CPP=/usr/bin/cpp
CPP_FLAGS=-P -traditional -D__IFC
# The cpp directive CHGSTDIO changes the standard I/O definition
# Uncomment the next line for this to happen.
#CPP_FLAGS=-P -DCHGSTDIO

# C optimized compilation.
CC=/usr/bin/cc
CFLAGS=-O

# Location of perl . Used to generate the script fldiff, in ~ABINIT/Utilities 
.
PERL=/usr/bin/perl

# List of machine-dependent routines
MACHINE_DEP_C_SEQ_SUBS_LIST=etime.o

####################################################################
# For the parallel version : MPICH / MYRINET

# Compiler flags and definitions
FFLAGS_PAR= $(FFLAGS) -I /opt/mpich/intel/include

# List of machine-dependent routines
MACHINE_DEP_C_PAR_SUBS_LIST=etime.par

# Location of the MPI library
MPI_A=/opt/mpich/intel/lib/libmpich.a
# Include blas, lapack, and any other libraries here
 LIBS_PAR=$(LIBS) $(MPI_A)

# This is a last line in makefile_macros ----------

But when I tried to submit my tasks on the cluster with multi-processors (The 
calculations run smoothly when I tried using single-processor.), the 
calculation always stops at the beginning with the following messages in the 
end of the log file:

 ITER STEP NUMBER     1
 vtorho : nnsclo_now=  2, note that nnsclo,dbl_nnsclo,istep=  0 0  1
-P-0000  leave_test : synchronization done...
 vtorho: loop on k-points and spins done in parallel

Is this the compilation problem or other problems? Hope anyone here with 
experiences can give me some advice. Thanks a lot.

Best regards.

Chun Li