unify some name&text

Author: QuantumMisaka

toolchain/build_abacus_aocc-aocl.sh

@@ -16,7 +16,7 @@ INSTALL_DIR=$TOOL/install
 source $INSTALL_DIR/setup
 cd $ABACUS_DIR
 ABACUS_DIR=$(pwd)
-#AOCLhome=/opt/aocl-linux-aocc-5.0.0/5.0.0/aocc/  # user should specify this parameter
+#AOCLhome=/opt/aocl-linux-aocc-5.0.0/5.0.0/aocl/  # user should specify this parameter
 
 BUILD_DIR=build_abacus_aocl
 rm -rf $BUILD_DIR

toolchain/build_abacus_gnu-aocl.sh renamed to toolchain/build_abacus_gcc-aocl.sh

@@ -16,7 +16,7 @@ INSTALL_DIR=$TOOL/install
 source $INSTALL_DIR/setup
 cd $ABACUS_DIR
 ABACUS_DIR=$(pwd)
-#AOCLhome=/opt/aocl-linux-aocc-5.0.0/5.0.0/aocc/  # user should specify this parameter
+#AOCLhome=/opt/aocl-linux-aocc-5.0.0/5.0.0/aocl/  # user should specify this parameter
 
 BUILD_DIR=build_abacus_aocl
 rm -rf $BUILD_DIR
@@ -36,8 +36,6 @@ FFTW3=$AOCLhome
 # LIBNPY=$INSTALL_DIR/libnpy-1.0.1/include
 # DEEPMD=$HOME/apps/anaconda3/envs/deepmd # v3.0 might have problem
 
-# if clang++ have problem, switch back to g++
-
 cmake -B $BUILD_DIR -DCMAKE_INSTALL_PREFIX=$PREFIX \
         -DCMAKE_CXX_COMPILER=g++ \
         -DMPI_CXX_COMPILER=mpicxx \

toolchain/install_abacus_toolchain.sh

@@ -891,7 +891,7 @@ To build ABACUS by gnu-toolchain, just use:
 To build ABACUS by intel-toolchain, just use:
     ./build_abacus_intel.sh
 To build ABACUS by amd-toolchain in gcc-aocl, just use:
-    ./build_abacus_gnu-aocl.sh
+    ./build_abacus_gcc-aocl.sh
 To build ABACUS by amd-toolchain in aocc-aocl, just use:
     ./build_abacus_aocc-aocl.sh
 or you can modify the builder scripts to suit your needs.

toolchain/toolchain_aocc-aocl.sh

@@ -5,13 +5,13 @@
 #SBATCH -o compile.log
 #SBATCH -e compile.err
 
-# JamesMisaka in 2023-09-16
-# install abacus dependency by gnu-toolchain
-# one can use mpich or openmpi.
-# openmpi will be faster, but not compatible in some cases.
+# JamesMisaka in 2025-05-05
+# install abacus dependency by aocc-aocl toolchain
+# openmpi is recommended to use
 # libtorch and libnpy are for deepks support, which can be =no
 # if you want to run EXX calculation, you should set --with-libri=install
-# mpich (and intel toolchain) is recommended for EXX support
+# gpu-lcao supporting modify: CUDA_PATH and --enable-cuda
+# export CUDA_PATH=/usr/local/cuda
 
 ./install_abacus_toolchain.sh \
 --with-amd=system \

toolchain/toolchain_gcc-aocl.sh

@@ -5,13 +5,14 @@
 #SBATCH -o compile.log
 #SBATCH -e compile.err
 
-# JamesMisaka in 2023-09-16
-# install abacus dependency by gnu-toolchain
-# one can use mpich or openmpi.
-# openmpi will be faster, but not compatible in some cases.
+# JamesMisaka in 2025-05-05
+# install abacus dependency by gcc-aocl toolchain
+# openmpi is recommended to use
 # libtorch and libnpy are for deepks support, which can be =no
 # if you want to run EXX calculation, you should set --with-libri=install
-# mpich (and intel toolchain) is recommended for EXX support
+
+# gpu-lcao supporting modify: CUDA_PATH and --enable-cuda
+# export CUDA_PATH=/usr/local/cuda
 
 ./install_abacus_toolchain.sh \
 --with-gcc=system \

toolchain/toolchain_gnu.sh

@@ -5,13 +5,12 @@
 #SBATCH -o compile.log
 #SBATCH -e compile.err
 
-# JamesMisaka in 2023-09-16
+# JamesMisaka in 2025-05-05
 # install abacus dependency by gnu-toolchain
-# one can use mpich or openmpi.
-# openmpi will be faster, but not compatible in some cases.
+# one can use mpich or openmpi. openmpi will be faster and less compatiable
 # libtorch and libnpy are for deepks support, which can be =no
 # if you want to run EXX calculation, you should set --with-libri=install
-# mpich (and intel toolchain) is recommended for EXX support
+
 # gpu-lcao supporting modify: CUDA_PATH and --enable-cuda
 # export CUDA_PATH=/usr/local/cuda
 

toolchain/toolchain_intel.sh

@@ -5,14 +5,16 @@
 #SBATCH -o compile.log
 #SBATCH -e compile.err
 
-# JamesMisaka in 2023-08-31
+# JamesMisaka in 2025-05-05
 # install abacus dependency by intel-toolchain
 # use mkl and intelmpi
 # but mpich and openmpi can also be tried
 # libtorch and libnpy are for deepks support, which can be =no
+# gpu-lcao supporting modify: CUDA_PATH and --enable-cuda
+# export CUDA_PATH=/usr/local/cuda
 
 # module load mkl mpi compiler
-export CUDA_PATH=/usr/local/cuda
+
 ./install_abacus_toolchain.sh \
 --with-intel=system \
 --math-mode=mkl \