RE: long simulation and error "integer value too large"

From: dhirajks (dhirajks_at_gmail.com)
Date: Sat Apr 21 2018 - 09:04:42 CDT

Thanks for the explanation Josh. I intended to do only 2 micro second simulation and my system is small enough for 100 ns per day simulation.
ThanksDhiraj

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-------- Original message --------From: "Vermaas, Joshua" <Joshua.Vermaas_at_nrel.gov> Date: 4/21/18 8:45 AM (GMT-06:00) To: namd-l_at_ks.uiuc.edu, dhirajks_at_gmail.com Subject: RE: namd-l: long simulation and error "integer value too large"

Run 10 simulations that are only a billion steps each. You are running into the limitations of 32 bit integers, which can't represent numbers larger than 2^32 (around 2 billion). Just as a warning, at around a ms per step, this will take you 115 days.

-Josh

 

 

On 2018-04-20 22:31:30-06:00 owner-namd-l_at_ks.uiuc.edu wrote:

Hi all 
        I am trying to do a really long simulation on NAMD but its showing following error.
how can I fix this problem?

thanks
Dhiraj

FATAL ERROR: integer value too large to represent as non-long integer
    while executing
"run 10000000000 "

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