Recenly, I installed lammps-stable-29Sep2021 on Ubuntu 20.04.3 LTS (GNU/Linux 5.11.0-41-generic x86_64) with “NVIDIA GeForce RTX 3080 Ti”. However, when I run lammps job with GPU package enabled, I got an error stated that “ERROR on proc 3: Insufficient memory on accelerator”. Belowing is the information for my lammps and systems: (1) The lammps are installed with package GPU,OPE…

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Hello, I’m using 27Oct2021 version of lammps. I use fix gcmc module, with GPU libraries on. I’ve had no problems using the module, with lj/cut/coul/long pair style, with GPU enabled. However, the error : ERROR: Fix adapt interface to this pair style not supported (src/pair.cpp:290) is produced when I try the pair style lj/class2/coul/long. I understand fix gcmc is utilizing fi…

Hello all, I am trying to simulate stable argon nano droplet on gold surface. I have relaxed the structure. For contact angle calculation I need to output the density profile. I am using the following command but not getting anything near what I want. Would anyone please help me out? compute densitymap argon chunk/atom bin/cylinder z center 1 30 30 0 40 40 discard y…

Hi everyone, I am performing a biaxial (x-y directions) compression of frictional granules in a rectangular box using rigid walls in LAMMPs. I have used fix enforce2d to enforce 2-dimensionality and my simulation procedure is as follows: compress granules from a loose state by moving the top and right walls inward till it forms a dense sample (beyond jamming transition) make wal…