From 77bf9808683c4e1c1591a3b0eec66200f0c6f80a Mon Sep 17 00:00:00 2001
From: root <root@DESK4090>
Date: Thu, 17 Oct 2024 13:30:07 +0800
Subject: [PATCH] add openucx and openmpi

---
 Dockerfile.gromacs_amber | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/Dockerfile.gromacs_amber b/Dockerfile.gromacs_amber
index b3b8eba..5e11367 100755
--- a/Dockerfile.gromacs_amber
+++ b/Dockerfile.gromacs_amber
@@ -182,7 +182,7 @@ cd build
 # ../configure --with-cuda=/usr/local/cuda --enable-python-bindings --enable-mpirun-prefix-by-default --prefix=${MPI_HOME} --with-python=/usr/bin/python3 FC=gfortran
 # ../configure FC=gfortran PYTHON=/usr/bin/python3 --with-cuda=/usr/local/cuda --with-cuda-libdir=/usr/local/cuda/lib64 --enable-python-bindings --enable-mpirun-prefix-by-default --prefix=${MPI_HOME} --with-ucx=${UCX_HOME}
 ../configure FC=gfortran PYTHON=/usr/bin/python3 --with-cuda=/usr/local/cuda --with-cuda-libdir=/usr/local/cuda/lib64 --enable-python-bindings \
- --enable-mpirun-prefix-by-default --prefix=${MPI_HOME} --with-ucx=${UCX_HOME} --enable-mca-dso=btl-smcuda,rcache-rgpusm,rcache-gpusm,accelerator-cuda --enable-mca-no-build=btl-uct
+ --enable-mpirun-prefix-by-default --prefix=${MPI_HOME} --with-ucx=${UCX_HOME} --enable-mca-dso=btl-smcuda,rcache-rgpusm,rcache-gpusm,accelerator-cuda --enable-mca-no-build=btl-uct --without-hcoll
 make -j$(nproc)
 make install
 # 验证CUDA支持