Dear community,

I have a serious problem with the writing of restart and output files when using ONETEP and CASTEP in standalone mode on a server computer and would appreciate it if anybody gives me some clues! To point out the problem directly, I realized that ONETEP and CASTEP do not write any outputs until the job reaches its end (at least for the geometry optimization task)! That means when the job wall time reaches or fails, the results obtained at that stage are not accessible since it seems all the temporary files have been stored on memory rather than disk! In DMol3, the file_usage command in the input file can control the writing modes by using either of Smart/Memory/Disk keywords! 

I am not sure if I am missing anything; however, is there any command/keywords to add to the input file to force these solvers to write temporary outputs on a disk? 

PS: when I use DMol3 for a problem, it completes tens of geometry steps within the wall time limit (of, for example, 24 hours). However, in the case of CASTEP and ONETEP, no information regarding the geometry steps is found in the log files!

I would appreciate any help!

Many thanks,

A