Can you give some information about how you are running your program, such as:
Parallel or serial? Threaded or not? Which compiler are you using? Which MPI implementation (if parallel) and how many processors on how many nodes? Which BLAS? By step, do you mean 3 CG steps or 3 scf steps in three days? Can you look at the CLOCK file and let us know the average time between SCF steps. Daniel J. Backlund Texas Tech University - Physics daniel.backl...@ttu.edu ________________________________________ From: min gao [gaomin1...@gmail.com] Sent: Monday, January 11, 2010 8:03 PM To: siesta-l@uam.es Subject: [SIESTA-L] the program run slowly, 3days 3 steps Dear all, I want to calculate the Au(111) 3X3 4layer structure. But It runs so slowly that it costs 3 days for only 3 steps. I think maybe there is something wrong in the input file. Can you help me to check it. I am not sure what wrong it is. Thank you very much -- Min Gao
