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79 lines (72 loc) · 3.07 KB
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diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt
index aa6b0ed583..12d8eec863 100644
--- a/cmake/CMakeLists.txt
+++ b/cmake/CMakeLists.txt
@@ -146,7 +146,7 @@ set(STANDARD_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS DIPOLE
USER-HDNNP USER-LB USER-MANIFOLD USER-MDI USER-MEAMC USER-MESONT USER-MGPT USER-MISC
USER-MOFFF USER-MOLFILE USER-NETCDF USER-PHONON USER-PLUMED USER-PTM USER-QTB
USER-RANN USER-REACTION USER-REAXC USER-SCAFACOS USER-SDPD USER-SMD USER-SMTBQ USER-SPH
- USER-TALLY USER-UEF USER-VTK USER-QUIP USER-QMMM USER-YAFF USER-PACE USER-BROWNIAN)
+ USER-TALLY USER-UEF USER-VTK USER-QUIP USER-QMMM USER-YAFF USER-PACE USER-BROWNIAN USER-CONP2)
set(SUFFIX_PACKAGES CORESHELL GPU KOKKOS OPT USER-INTEL USER-OMP)
@@ -235,6 +235,7 @@ pkg_depends(USER-ATC MANYBODY)
pkg_depends(USER-LB MPI)
pkg_depends(USER-PHONON KSPACE)
pkg_depends(USER-SCAFACOS MPI)
+pkg_depends(USER-CONP2 KSPACE)
# detect if we may enable OpenMP support by default
set(BUILD_OMP_DEFAULT OFF)
@@ -269,7 +270,7 @@ if(BUILD_OMP)
target_link_libraries(lammps PRIVATE OpenMP::OpenMP_CXX)
endif()
-if(PKG_MSCG OR PKG_USER-ATC OR PKG_USER-AWPMD OR PKG_USER-QUIP OR PKG_LATTE)
+if(PKG_MSCG OR PKG_USER-ATC OR PKG_USER-AWPMD OR PKG_USER-QUIP OR PKG_LATTE OR PKG_USER-CONP2)
enable_language(C)
find_package(LAPACK)
find_package(BLAS)
@@ -490,6 +491,10 @@ if(PKG_USER-H5MD)
include(Packages/USER-H5MD)
endif()
+if(PKG_USER-CONP2)
+ target_link_libraries(lammps PRIVATE ${LAPACK_LIBRARIES})
+endif()
+
######################################################################
# packages which selectively include variants based on enabled styles
# e.g. accelerator packages
diff --git a/src/Depend.sh b/src/Depend.sh
index f77d435fc5..aeda21f96c 100755
--- a/src/Depend.sh
+++ b/src/Depend.sh
@@ -149,3 +149,7 @@ if (test $1 = "USER-REAXC") then
depend KOKKOS
depend USER-OMP
fi
+
+if (test $1 = "USER-CONP2") then
+ depend USER-INTEL
+fi
diff --git a/src/Makefile b/src/Makefile
index 24d99a5fe3..a62fa3e4dc 100644
--- a/src/Makefile
+++ b/src/Makefile
@@ -58,7 +58,7 @@ PACKUSER = user-adios user-atc user-awpmd user-brownian user-bocs user-cgdna \
user-mofff user-molfile user-netcdf user-omp user-phonon \
user-pace user-plumed user-ptm user-qmmm user-qtb user-quip \
user-rann user-reaction user-reaxc user-scafacos user-smd user-smtbq \
- user-sdpd user-sph user-tally user-uef user-vtk user-yaff
+ user-sdpd user-sph user-tally user-uef user-vtk user-yaff user-conp2
PACKLIB = compress gpu kim kokkos latte message mpiio mscg poems python voronoi \
user-adios user-atc user-awpmd user-colvars user-h5md user-hdnnp user-lb user-mdi \
diff --git a/src/USER-INTEL/intel_buffers.h b/src/USER-INTEL/intel_buffers.h
index 607cc2fd82..11aeb29c72 100644
--- a/src/USER-INTEL/intel_buffers.h
+++ b/src/USER-INTEL/intel_buffers.h
@@ -201,7 +201,7 @@ class IntelBuffers {
#endif
inline void thr_pack(const int ifrom, const int ito, const int ago) {
- if (ago == 0) {
+ if (true) {
#if defined(LMP_SIMD_COMPILER)
#pragma vector aligned
#pragma ivdep