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admin:compilaciones:abinit [2026/02/13 17:11] – [Config] bbruzzoadmin:compilaciones:abinit [2026/02/13 18:00] (current) – ldd check bbruzzo
Line 351: Line 351:
 </code> </code>
  
 +<code>
 +make check
 +make test_fast
 +make test_in
 +make install
 +</code>
 +
 +== Módulo ==
 +
 +<file lua 10.6.3.lua>
 +p([==[
 +Description
 +===========
 +ABINIT
 +
 +Version
 +=======
 +10.6.3
 +
 +More information
 +================
 + - Homepage: https://www.abinit.org/
 +]==])
 +
 +whatis([==[Description:  ABINIT is a software suite to calculate
 +the optical, mechanical, vibrational, and other observable
 +properties of materials.
 +Starting from the quantum equations of density functional theory,
 +you can build up to advanced applications with perturbation theories
 +based on DFT, and many-body Green's functions (GW and DMFT).
 +]==])
 +whatis([==[Homepage: https://www.abinit.org]==])
 +whatis("Compiled by bbruzzo")
 +
 +local root = "/data/shared/apps/abinit/10.6.3/build"
 +local libs = "/data/shared/apps/abinit/10.6.3/libs"
 +
 +if not ( isloaded("intel/2024.0.0") ) then
 +    load("intel/2024.0.0")
 +end
 +
 +if not ( isloaded("openmpi5") ) then
 +    load("openmpi5")
 +end
 +
 +prepend_path("PATH", pathJoin(root, "/bin"))
 +prepend_path("LD_LIBRARY_PATH", pathJoin(libs, "/lib"))
 +</file>
 +
 +== Check linkeo ==
 +
 +<code>
 +module purge
 +module load abinit
 +ldd $(which abinit)
 +</code>
admin/compilaciones/abinit.txt · Last modified: by bbruzzo