I have a problem compiling reax on our cluster. I am using Makefile.ifort to build libreax.a. The reax library is built successfully. Here you can see the Makefile.lammps contents. I added correct path for ifort library to reax_SYSPATH:
Settings that the LAMMPS build will import when this package library is used
the compilation is successful and I am end with lmp_linux without any errors. But problem comes up when I want to use reax function.
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
I searched a lot to see if anyone has asked the same question, but I could not find anything. Do you have any idea how I can deal with this problem?
Thank you,
Mehrdad Arjmand,
Research assistant
University of Wisconsin-Madison
Department of Engineering Mechanics
the compilation is successful and I am end with lmp_linux without any errors. But problem comes up when I want to use reax > >
function.
I don't know what this means. Are you saying you get a run-time error
when you use
the pair_style reax command? Did you build your LAMMPS executable
with static libs, like lib/reax/libreax.a ?
Thank you Steve for your response.
Yes, that is the run-time error. But I guess it should originate from compilation.
Yes, I made libreax.a using ifort.
Is there any method to check wether libreax.a is built successfully or not?
Do I need to make any change in Makefile.lammps.ifort? Or modification in Makefile.lammps is the only necessary one?
Do I need to do any modification on Make.linux? Or adding make yes-reax is the only modification in this side?
I am not sure what is going on there, but the executable file runs any job other that those related to reax pair style. Any thought or ideas would really be appreciated!
Thank you Steve for your response.
Yes, that is the run-time error. But I guess it should originate from
compilation.
Yes, I made libreax.a using ifort.
Is there any method to check wether libreax.a is built successfully or not?
there are examples for reax in the example directory.
Do I need to make any change in Makefile.lammps.ifort? Or modification in
Makefile.lammps is the only necessary one?
Makefile.lammps
Do I need to do any modification on Make.linux? Or adding make yes-reax is
the only modification in this side?
I am not sure what is going on there, but the executable file runs any job
other that those related to reax pair style. Any thought or ideas would
really be appreciated!
it looks, like you don't properly initialize the intel fortran runtime
environment when running lammps. this is not really a LAMMPS
error, but a user or setup error. talk to your local system admin.