Firefly and PC GAMESS-related discussion club
Learn how to ask questions correctly
Re^5: Output file attached here
I didn't find any errors in your output file, so it seems to me as your job just was killed. Also, i'd rather used MKLNP=2, because you're using dual-core processor without hyper-threading, so using more threads could cause perfomance degradation. Maybe I'm wrong and someone will correct me.
Also, you should understand that MP4 is way more heavy (computationally expensive) method than HF, that you used initially; and increase of perfomance due to CUDA will be definitely overwhelmed by increase of difficulty of job, so anyway calculation time will be much greater for MP4 with CUDA than for HF without it.
Wed Jul 20 '11 4:47pm
This message read 654 times