- Date: 2005/08/26 16:40
- Name: Rudy Coquet
- Dear OpenMX users,
I have compiled OpenMX on a Linux cluster to run in parallel, but when running, the job hangs for hours and nothing is added to the output. Only the *.memory* files are produced at the begining...
Below is what I have used in the makefile:
CC = gcc -O3 -I/opt/scali/include -I/RAID/home/rudy/progs/fftw-3.0.1/librudy/include
LIB = -L/usr/local/lib -lg2c \
-L/RAID/home/rudy/progs/fftw-3.0.1/librudy/lib -lfftw3 \
-L/opt/atlas/lib/libgoto_gnu -llapack -lcblas -lf77blas -latlas \
-L/opt/scali/lib -lmpi -lpthread -ldl
# -L/RAID/home/rudy/progs/ATLAS/lib/Linux_P4SSE2_2 -llapack -lcblas -lf77blas -latlas \
Is there anything strange here?
I would greatly appreciate your help. I have used SIESTA until now but I am looking for a code in which the order-N method "works" as I plan to study systems containing more than 300 atoms.
With best regards,
Cardiff University, UK.