user manuel added

doc/user_manual.md

@@ -40,7 +40,7 @@ cd build
 3. Configure the project using CMake and build
 ```bash
 cmake ..
-make
+make -j4
 ```
 
 
@@ -60,7 +60,29 @@ Follow these steps to build NWQ-Sim on the OLCF Frontier HPC:
 source ~/NWQ-Sim/environment/setup_frontier.sh
 ```
 
-Then, build NWQ-Sim using the steps in [Build from Source](#build_base)
+1. Clone the NWQ-Sim repository:
+```bash
+git clone https://github.com/pnnl/NWQ-Sim.git
+cd NWQ-Sim
+```
+2. Create a build directory and navigate into it:
+```bash
+mkdir build
+cd build
+```
+3. Configure the project using CMake
+```bash
+cmake ..
+```
+4. (ISSUE) Default clang++ compiler on Frontier HPC produces slow-running code. hipcc improves performance but can't be set directly in CMake. A temporary fix is provided below to replace clang++ with hipcc in build scripts:
+
+```bash
+sed -i 's|/opt/rocm-5.3.0/llvm/bin/clang++|hipcc|g' qasm/CMakeFiles/nwq_qasm.dir/build.make
+```
+5. Build
+```bash
+make -j4
+```
 
 ### ORNL Summit HPC
 

doc/user_manual.rst

@@ -55,7 +55,7 @@ follow these steps:
 .. code:: bash
 
    cmake ..
-   make
+   make -j4
 
 Build on HPC Systems
 --------------------
@@ -80,8 +80,40 @@ Follow these steps to build NWQ-Sim on the OLCF Frontier HPC:
 
    source ~/NWQ-Sim/environment/setup_frontier.sh
 
-Then, build NWQ-Sim using the steps in `Build from
-Source <#build_base>`__
+1. Clone the NWQ-Sim repository:
+
+.. code:: bash
+
+   git clone https://github.com/pnnl/NWQ-Sim.git
+   cd NWQ-Sim
+
+2. Create a build directory and navigate into it:
+
+.. code:: bash
+
+   mkdir build
+   cd build
+
+3. Configure the project using CMake
+
+.. code:: bash
+
+   cmake ..
+
+4. (ISSUE) Default clang++ compiler on Frontier HPC produces
+   slow-running code. hipcc improves performance but can’t be set
+   directly in CMake. A temporary fix is provided below to replace
+   clang++ with hipcc in build scripts:
+
+.. code:: bash
+
+   sed -i 's|/opt/rocm-5.3.0/llvm/bin/clang++|hipcc|g' qasm/CMakeFiles/nwq_qasm.dir/build.make
+
+5. Build
+
+.. code:: bash
+
+   make -j4
 
 ORNL Summit HPC
 ~~~~~~~~~~~~~~~

environment/setup_crusher.sh

@@ -1,7 +1,11 @@
 #Environment settings for ORNL Crusher HPC
-module load rocm
+module load cmake
+module load rocm/5.3.0
 module load cray-mpich
 module load craype-accel-amd-gfx90a
 
+export cc=gcc
+export CC=g++
+
 export MPICH_GPU_SUPPORT_ENABLED=1
 export MY_HIP_ARCH=gfx90a

environment/setup_frontier.sh

@@ -1,8 +1,11 @@
+#Environment settings for ORNL Frontier HPC
 module load cmake
 module load rocm/5.3.0
 module load cray-mpich
+module load craype-accel-amd-gfx90a
 
 export cc=gcc
 export CC=g++
 
-export MY_HIP_ARCH=gfx90a
+export MY_HIP_ARCH=gfx90a
+export MPICH_GPU_SUPPORT_ENABLED=1