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- Build Tinker9 with CMake
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- ========================
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+ Build Tinker-GPU with CMake
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+ ===========================
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Quick Start
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-----------
@@ -9,7 +9,7 @@ an example to compile the GPU code without OpenACC:
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.. code-block :: bash
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- cd tinker9 && mkdir build
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+ cd tinker-gpu && mkdir build
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FC=gfortran compute_capability=70 gpu_lang=cuda cmake ..
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make
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make test
@@ -19,7 +19,7 @@ another example to compile the GPU code with both OpenACC and CUDA:
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.. code-block :: bash
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- cd tinker9 && mkdir build
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+ cd tinker-gpu && mkdir build
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cmake -DCMAKE_Fortran_COMPILER=gfortran -DCOMPUTE_CAPABILITY=70 ..
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make
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make test
@@ -31,17 +31,17 @@ Configure CMake
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---------------
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You can skip this section if you are familar with CMake.
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- Suppose the current working directory is */home/tinker9 * and we
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+ Suppose the current working directory is */home/tinker-gpu * and we
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want to create a build directory called *build * in
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- */home/tinker9 *. We can do *mkdir build * then *cd build *.
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+ */home/tinker-gpu *. We can do *mkdir build * then *cd build *.
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Because the top-level CMakeLists.txt file is in the parent directory,
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if there was nothing else to configure, command *cmake .. * would generate
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the Makefile. The alternative way is to specify the build and source
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directories to CMake, e.g.,
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.. code-block :: bash
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- cmake -B /home/tinker9/build -S /home/tinker9
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+ cmake -B /home/tinker9/build -S /home/tinker-gpu
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Some CMake installations also provide a command line gui *ccmake * and a
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simple gui program *cmake-gui * that can replace *cmake * in the commands
@@ -63,13 +63,13 @@ If not set, the building script will take a guess at the OpenACC compiler.
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*ACC * will also be used as the C++ compiler. The value of *CXX * (if set)
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will be neglected.
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- The only place where a C compiler may be used in Tinker9 is on the old Mac
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+ The only place where a C compiler may be used in Tinker-gpu is on the old Mac
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computers that had Nvidia support. clang is hardwired in the cmake scripts
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to compile the Objective-C and C source files. Thus, *CC=... * is not worth
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setting in the cmake configuration.
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- Configure Tinker9
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- -----------------
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+ Configure Tinker-GPU
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+ --------------------
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The following options are passed to CMake program with their default
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values (if there is one). **-D ** is prefixed to the options. CMake provides
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two standard ways to let users customize the values:
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