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TinkerTools / tinker-hp

Tinker-HP: High-Performance Massively Parallel Evolution of Tinker on CPUs & GPUs
http://tinker-hp.org/
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don't print out the running speed in GPU v1.2 of tinker-hp #17

Closed Cynthia-0807 closed 9 months ago

Cynthia-0807 commented 10 months ago

this is what printed out in end of my log file:

TINKER-HP is Exiting following Normal Termination

it doesn't print out ns/day. Which keyword can control the output of speed?

louislagardere commented 10 months ago

For that you need to add the line "verbose" in your *.key file

Cynthia-0807 commented 10 months ago

For that you need to add the line "verbose" in your *.key file

I added it,but it doesn’t work.

opadjoua commented 10 months ago

Greetings, Tinker-HP prints the dynamics report after a certain number of time steps controlled by the value of the printout variable, which by default is 100 for double precision and 1000 for mixed precision. It must be a multiple of 100, and can be adjusted using the keyfile. For instance, printout 500. Naturally, verbose keyword also need to be present.

Cynthia-0807 commented 10 months ago

Greetings, Tinker-HP prints the dynamics report after a certain number of time steps controlled by the value of the printout variable, which by default is 100 for double precision and 1000 for mixed precision. It must be a multiple of 100, and can be adjusted using the keyfile. For instance, printout 500. Naturally, verbose keyword also need to be present.

Thanks for your help.It works well now.