Small update of the GPU related documentation.

diff --git a/INSTALL-GPU b/INSTALL-GPU
index 08c5b248be2dd68e30395a487849430287dd9c00..3b9326a0ea9692b8efa912f5249d6648babdaeec 100644 (file)
--- a/INSTALL-GPU
+++ b/INSTALL-GPU
@@ -10,7 +10,7 @@ http://www.gromacs.org/gpu
 
 0. Prerequisites: 
     - OpenMM (included in the binary release)
-    - NVIDIA CUDA libraries (version >=3.0);
+    - NVIDIA CUDA libraries (version >=3.1);
     - NVIDIA driver (for details on compatiblity consult
          http://www.nvidia.com/Download/index5.aspx);
     - NVIDIA CUDA-enabled GPU (for compatiblity list see 
@@ -21,7 +21,7 @@ http://www.gromacs.org/gpu
 OS and architecture. Copy the content of the package to your 
 normal GROMACS installation directory (or to a custom location). 
 Note that as the distributed Gromacs-GPU packages do not contain 
-the entire set of tools and utilities included in a full GROAMCS 
+the entire set of tools and utilities included in a full GROMACS 
 installation. Therefore, it is recommended to have a ≥v4.5 
 standard Gromacs installation along the GPU accelerated one.
 e.g. on unix: 
@@ -36,8 +36,8 @@ export LD_LIBRARY_PATH=PATH_TO_GROMACS/openmm/lib:$LD_LIBRARY_PATH
 
 If there are other OpenMM versions installed, make sure that the 
 supplied libraries have preference when running mdrun-gpu. 
-Also, make sure that the CUDA libraries installed match the version 
-of CUDA with which GROMACS-GPU is compiled.
+Also, make sure that the installed CUDA libraries match the version 
+of CUDA with which GROMACS-GPU has been compiled.
 
 
 3. Set the OPENMM_PLUGIN_DIR environment variable to contain the path 
@@ -58,7 +58,7 @@ necessary libraries are accessible.
 * INSTALLING FROM SOURCE DISTRIBUTION:
 
 GROMACS-GPU uses a cmake build-generator and makefiles on unix. 
-This means your normal installation actions are limited to:
+All you have to do is run:
 
 cmake PATH_TO_SOURCE_DIRECTORY -DGMX_OPENMM=ON -DGMX_THREADS=OFF 
 make mdrun

diff --git a/README-GPU b/README-GPU
index c449c3d47c5d6d1144d5508c6efcb85ee415b5a6..057f7218dfdb152eb5405b6b13e427a36b8b0b20 100644 (file)
--- a/README-GPU
+++ b/README-GPU
@@ -5,14 +5,14 @@
 GROMACS-GPU provides GPU-accelerated MD simulations.
 The current release uses the OpenMM library. 
 
-This is a first beta release and therefore it is targeted at developers 
-and advanced users and is NOT intended for production use. 
+This release is targeted at developers and advanced users,
+and care should be taken before production use. 
 
 Installation instructions are available in the INSTALL-GPU file. 
 More details on the GPU accelerated release are available on the 
 GROMACS-GPU website: http://www.gromacs.org/gpu.
 
-Also see the README file for general GROMACS information.
+See also the README file for general GROMACS information.
 
                                * * * * *
 

diff --git a/src/kernel/mdrun.c b/src/kernel/mdrun.c
index a610c5c88ce961e203416b497a3f55a2ff0fd972..f55c8554b4df4b9b3a98e8d7b303110b9943d317 100644 (file)
--- a/src/kernel/mdrun.c
+++ b/src/kernel/mdrun.c
@@ -65,7 +65,7 @@ int main(int argc,char *argv[])
        "by the OpenMM library (https://simtk.org/home/openmm).[PAR]",
        "*Warning*[BR]",
        "This release is targeted at developers and advanced users and",
-       "should not be considered ready for production. The following should be",
+       "care should be taken before production use. The following should be",
        "noted before using the program:[PAR]",
        " * The current release runs only on modern nVidia GPU hardware with CUDA support.",
        "Make sure that the necessary CUDA drivers and libraries for your operating system",
@@ -96,14 +96,14 @@ int main(int argc,char *argv[])
        "Realistic expectations about the achievable speed-up from test with GTX280:",
        "For small protein systems in implicit solvent using all-vs-all kernels the acceleration",
        "can be as high as 20 times, but in most other setups involving cutoffs and PME the",
-       "acceleration is usually only 4~6 times relative to a 3GHz CPU.[PAR]",
+       "acceleration is usually only ~4 times relative to a 3GHz CPU.[PAR]",
        "Supported features:[PAR]",
        " * Integrators: md/md-vv/md-vv-avek, sd/sd1 and bd.\n",
-       " * Long-range interactions (option coulombtype): Reaction-Field, Ewald, PME.\n",
+       " * Long-range interactions (option coulombtype): Reaction-Field, Ewald, PME, and cut-off (for Implicit Solvent only)\n",
        " * Temperature control: Supported only with the md/md-vv/md-vv-avek, sd/sd1 and bd integrators.\n",
-       " * Pressure control: Not supported.\n",
+       " * Pressure control: Supported.\n",
        " * Implicit solvent: Supported.\n",
-       "A detailed description can be found on the website:\n",
+       "A detailed description can be found on the GROMACS website:\n",
        "http://www.gromacs.org/gpu[PAR]",
 /* From the original mdrun documentaion */
     "The mdrun program reads the run input file ([TT]-s[tt])",