LIGGGHTS compile on cluster RedHat

Submitted by hamedhoori on Thu, 02/11/2021 - 13:00

Hi everyone I'm trying to compile liggghts on my university's cluster without VTK.
I turned off the USE_VTK in the Makefile.user from the directory src/MAKE and everything looks fine but when the compilation reaches the below line it stuck and won't continue anymore. I tested the source codes on my personal computer and it worked fine but on the cluster, it won't continue to compile liggghts.
...
../tangential_model_history.h: In member function ‘virtual void LIGGGHTS::ContactModels::TangentialModel<2>::surfacesIntersect(const LIGGGHTS::ContactModels::SurfacesIntersectData&, LIGGGHTS::ContactModels::ForceData&, LIGGGHTS::ContactModels::ForceData&)’:
../tangential_model_history.h:354:52: warning: ‘*((void*)& torque_j +16)’ may be used uninitialized in this function [-Wmaybe-uninitialized]
j_forces.delta_torque[2] += torque_j[2];
^
../tangential_model_history.h:353:52: warning: ‘*((void*)& torque_j +8)’ may be used uninitialized in this function [-Wmaybe-uninitialized]
j_forces.delta_torque[1] += torque_j[1];
^
../tangential_model_history.h:352:52: warning: ‘torque_j’ may be used uninitialized in this function [-Wmaybe-uninitialized]
j_forces.delta_torque[0] += torque_j[0];
^
I tried to compile with make mpi but it failed to continue from here. I don't know what the problem is. I appreciate any help.

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mschramm | Thu, 02/11/2021 - 18:41

Hello,
The above are only warning messages and should not make LIGGGHTS stop compiling unless extra flags are enabled.
For clusters, I would highly recommend looking into using Spack (https://github.com/spack/spack). Our university uses this for our clusters.
(You must specifically set the vtk version as by default Spack will try to install vtk-9 which the auto makefile will throw an error for.)

hamedhoori | Fri, 02/12/2021 - 20:13

Thanks, dear Schramm for your reply and guidance. I know there are just warnings but the compilation failed to continue from this point on. I didn't change anything in the source code except the USE_VTK in the Makefile.user. and it compiles fine till it gets here. Moreover, our university cluster doesn't have access to the web and all the changes need to be done using SSH access to the user directory so if I install the Spack it cant install the vtk by itself.
I don't think the problem relates to the VTK package. It just stops the compilation without any errors, just stop right after that line.
I appreciate any help you can provide.