No VASPml
Posted: Thu Feb 20, 2025 5:32 am
Hello,
My vasp both vasp.6.4.0 and vasp.6.4.3 were installed normally. However, I would like to install vaspml. There is no vaspml under src folder. If I turn on .-Dlibvaspml, no vaspml was produced..
Can you please advise me what's the issue.
Code: Select all
# For machine learning library vaspml (experimental)
CPP_OPTIONS += -Dlibvaspml
CPP_OPTIONS += -DVASPML_USE_CBLAS
#CPP_OPTIONS += -DVASPML_DEBUG_LEVEL=3
CXX_ML = mpic++
CXXFLAGS_ML = -O3 -std=c++17 -pedantic-errors -Wall -Wextra
INCLUDE_ML = -I$(OPENBLAS_ROOT)/include
...,