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OpenMX hanging 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 \ # -static CFLAGS = # -g 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, Rudy Coquet Cardiff University, UK.

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Re: OpenMX hanging ( No.1 ) Date: 2005/08/26 18:59 Name: Rudy Coquet My apologies for my previous message: I hadn't realised that a relevant answer had already been given in this forum. I have recompiled OpenMX with the latest source code and it seems to be working fine. Best regards, Rudy Coquet Cardiff University, UK.

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