Dump command only accept integer value

Submitted by uhelfenstein on Mon, 12/23/2013 - 12:47


I am used to calculate the number of time steps after which I want to write a dump file.

variable l equal v_DumpTime1/v_dt
dump dmp all custom $l post/dump*.$a &
id type type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius

If I run this with LIGGGHTS 3.0.0-beta, I got the following error:

ERROR: Expected integer parameter in input script or data file (../output.cpp:547)

According the log file the last command which was executed and causes the error is the following:

dump dmp all custom 911255.57215977238957 post/dump*.KV1_25_ id type type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius

It can be seen that the number is not an integer due to the calculation. I propose to change the source that it convert non-integer values into integer.

If I do the same with the run command (calculate the amount of time steps to simulate a defined time and the result is a non-integer value) it works.

Regards, Urs

uhelfenstein | Mon, 12/23/2013 - 15:52

Hi Christian

Thank you. This is a good work arround. But why has this changed? In LIGGGHTS 2.X it was no issue. Is it a bug or what is the meaning behind this Change?

ckloss_ | Mon, 01/13/2014 - 15:01

Hi Urs and Christian,

as you suspected: there was a change from LIGGGHTS 2 to LIGGGHTS 3, coming from the LAMMPS developers

This implies several side effects (also the one Urs is experiencing), so we will revert these changes for the final LIGGGHTS 3 release (probably next week)

Best wishes

uhelfenstein | Tue, 06/24/2014 - 10:48


I tried the above mentioned issue, that in LIGGGHTS 3.x just integer values are accepted, again in 3.0.2 and the issue is still there. Is it planed to change/solve this or do I need to adapt my scripts according the proposal of Christian?

So far I worked with the latest 2.x version of LIGGGHTS.