[lammps-users] install error

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1

Dear all,

When I try to install this program,there is wrong:

compchem 55% make diesel
Insufficient arguments
Usage: cp [-aDfirRp] [-b size] [-tP -[e size]] f1 f2
       cp [-aDfirRp] [-b size] [-tP -[e size]] f1 ... f2 dir
*** Error code 2 (bu21)

Could anyone tell me how to deal with it?

I want to install this on SCI(Origin 300).

Cheers!

    zhurx@\.\.\.100\.\.\.
      2006\-02\-19
2

Dear all,

Below is an extract from the log file after a simulation:

fix 1 all nve
fix 2 rest temp/rescale 293 293 1 10 0.5
fix 3 top temp/rescale 293 1337.73 1 10 0.5
fix 4 top msd 1 toprunAu.out
Resetting per-atom state of Fix 4 Style msd from restart file info
fix 5 middle msd 1 middlerunAu.out
Resetting per-atom state of Fix 5 Style msd from restart file info
fix 6 middlemore msd 1 middlerunAumore.out

my question is why for fix 4 and fix 5 I get the message: Resetting per-atom
state of Fix 4 Style msd from restart file info.

Thanks
Jaime

3

Jaime,

When you run a simulation from a restart file, LAMMPS
will use information from the restart file for fixes
that use historic information and were already in
place before the restart file was written.

In this case, LAMMPS will compute atomic displacements
for the msd fix based on their original positions, not
based on the restart positions. If you really want msd
values based on the restart positions, I think that
using a different fix ID should work.

Paul

4

Zhurx,

Perhaps Steve will want to comment on this --- it
isn't immediately obvious to me what is wrong. In the
meanwhile, please carefully read this page:

http://www.cs.sandia.gov/~sjplimp/lammps/doc/Section_start.html#2_2

and try to get help from a local expert. If you still
can't get LAMMPS installed on your machine, go ahead
and send us another e-mail.

Paul

5

looks like a problem with Makefile.diesel ... you should have a local
expert in makefiles take a look ...