LIGGGHTS compilation Issue

Submitted by saurabh tripathi on Mon, 08/28/2023 - 09:38

Hello everyone,

For past few weeks I have been trying to compile out my LIGGGHTS executable "lmp_auto" into a HPC cluster.

I have been using the following modules from software stack of the cluster:

1. module load compiler/openmpi/4.1.4 (For MPI based parallelization)
I am not using any version of GCC compiler as I assume that OpenMPI already has a parallel version of GCC wrapped inside itself.
2. module load compiler/cmake/3.22.5 (For configuring the downloaded VTK).

before start of the compilation I have edited following files
1. Make.sh --> inside it I have set the "nlimits"=3240 to generate all possible combinations of contact models
After running "make -j8 auto" for first time
2. "src/MAKE/Makefile.user" ---> inside it I have set the 'AUTOINSTALL_VTK ="ON"'
Again ran "make -j8 auto"
Model list are Generated and compilation begins after the download of vtk libraries.

However, somewhere in the end following error is being encountered
-------------------------------------------------------------------------------------------------------------------------
make[1]: *** [lammps.o] Error 9
make[1]: Leaving directory '/home/19me92r10/app/LIGGGHTS-PUBLIC/src/Obj_auto'
make: *** [auto] Error 2
-------------------------------------------------------------------------------------------------------------------------

I have even tried compilation by turning of the USE_VTK ="OFF" and still I get the same above error

!!!!Thanks for Reading the issue .

AttachmentSize
Image icon screenshot_678.png267.34 KB
Plain text icon This is the error file which I have extracted. It contains all the warning messages which might have resulted in the above error17.84 MB

Forums:

saurabh tripathi | Tue, 08/29/2023 - 10:31

I have also found a very unusual behavior, when I tried to compile the LIGGGHTS with default number of contact models (i.e. nLimit=1200) compilation had no issue and everything was smooth with "lmp_auto" generated at the end of compilation. But if I want to compile all 3240 possible contact model combinations (i.e. nLimit = 3240) I am constantly getting the same above error message

saurabh tripathi | Tue, 08/29/2023 - 11:25

Another thing to note here is that even if I try to update the "style_contact_model.whitelist" with some additional required contact model combinations apart from 1200 contact limited. Similar error pops up ..
Thank you

sradl1981's picture

sradl1981 | Tue, 11/28/2023 - 11:41

dear Saurabh,

in your screenshot: i only find warning, but not the error message that causes the error.
what i would do:
- find out the first error message that causes the error (you have to scrol up), watch the compilation process carefully.
- deactivate "AUTOINSTALL_VTK", and "USE_VTK".
- ask your system admin if he/she can help

cheers
Stefan

Stefan Radl
IPPT, TU Graz

saurabh tripathi | Fri, 12/22/2023 - 16:55

Dear Stefan,

Thanks for answering, I have extracted the compilation error messages and corresponding warning messages. I am attaching it to my next comment here.

Actually what is happening, the LIGGGHTS source file that I am trying to compile in a cluster having centos 7.6.1810 (with no root access) using gcc 8.3.0, open-mpi version 4.1.4 & cmake version 3.22.5 is causing these issues, but the similar source code in my linux system Ubuntu 22.04.03 (in which I have the root access) with gcc 11.4.0., open-mpi 4.1.2 & cmake 3.22.1 is able to complie it without any issue. In both these cases I have set nlimit to 3240.

Merry Christmas & Warm Regards