Memory load increased with time elapsing
Posted: Wed Nov 14, 2007 4:59 pm
Hi, all!
I just compiled vasp4.6.31 with ifort+libgoto at xeon workstation.
The compilation was successful without any complain. And some
simple tests also gave me satisfactory accuracy and results.
These days, i performed a work around 100 atoms , the calculation
is executed smoothly , and the convergence is also easily reached.
But for ion relaxation calculation , the calculation use more and more memories of my workstation when time elapsed. I donot
know how to explain such strange behavior , would you please give me some hints and help on this subject ?
Regards ,
Hai-Ping @ Beijing
I just compiled vasp4.6.31 with ifort+libgoto at xeon workstation.
The compilation was successful without any complain. And some
simple tests also gave me satisfactory accuracy and results.
These days, i performed a work around 100 atoms , the calculation
is executed smoothly , and the convergence is also easily reached.
But for ion relaxation calculation , the calculation use more and more memories of my workstation when time elapsed. I donot
know how to explain such strange behavior , would you please give me some hints and help on this subject ?
Regards ,
Hai-Ping @ Beijing