Hi Abbas,

You need to show the following points:

1) version of AMBER, 12, 14, or 16?

2) type of GPU card, GTX???

3) versions of video driver and cuda

4) input of minimization

5) command line of minimization

Please be sure you go through “make test” after installing pmemd.cuda.

Ok thaks Youshinobu

Try energy minimization without CUDA first. Is that stable? I do not use CUDA for energy minimization and early stage equilibration.

How this can be done without cuda. Ho Leung Ng

"pmemd" runs without CUDA. "pmemd.MPI" runs the parallel version, taking advantage of multiple cores - you probably want this.

Ok thank you very much Ho Leung Ng.