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--- cluster:204 [2021/04/15 19:11]
hmeij07 created
+++ cluster:204 [2023/09/15 19:12] (current)
hmeij07
@@ Line 4: / Line 4: @@
 ===== 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.
@@ Line 70: / Line 70: @@
 cd Obj_mpi
+# see below
 # add output of showme:link to lammps/lib/quip/Makefile.lammps
 # section where quip_SYSLIB gets defined, like so
@@ Line 121: / Line 122: @@
   set(PKG_${PKG} ON CACHE BOOL "" FORCE)
 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

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