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cluster:204 [2021/04/15 19:11] – created hmeij07cluster:204 [2023/09/15 19:12] (current) – hmeij07
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 ===== Lammps: MAKE or CMAKE ===== ===== Lammps: MAKE or CMAKE =====
  
-Using ''make'' and compiling libquip.a into the lammps binary generates an error like '''geryon/nvd_kernel.h' in line 364'' when package gpu tries to set up the runtime env for a lammps gpu job. +Using ''make'' and compiling libquip.a into the lammps binary generates an error like ''error 1 in 'geryon/nvd_kernel.h' in line 364'' when package gpu tries to set up the runtime env for a lammps gpu job. 
  
 This problem disappears when compiling with ''cmake''. Very strange, using lammps 29Oct2020 stable release. This problem disappears when compiling with ''cmake''. Very strange, using lammps 29Oct2020 stable release.
Line 70: Line 70:
 cd Obj_mpi  cd Obj_mpi 
  
 +# see below
 # add output of showme:link to lammps/lib/quip/Makefile.lammps # add output of showme:link to lammps/lib/quip/Makefile.lammps
 # section where quip_SYSLIB gets defined, like so # section where quip_SYSLIB gets defined, like so
Line 121: Line 122:
   set(PKG_${PKG} ON CACHE BOOL "" FORCE)   set(PKG_${PKG} ON CACHE BOOL "" FORCE)
 endforeach() endforeach()
 +
 +# next steps on node with internet access (greentail52)
 +# with cuda toolkit copied and linked to /usr/local/cuda
 +# cmake will download lammps packages
  
 # create build dir # create build dir
cluster/204.1618513878.txt.gz · Last modified: by hmeij07