Merge release-4-6 into master

[alexxy/gromacs.git] / CMakeLists.txt

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 43dffd9933c76488ea62482c4a81b86c7968ff0e..f663aa6bd133d978b7eb53c7de093d3a8cff2066 100644 (file)
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -29,7 +29,7 @@ mark_as_advanced(CUSTOM_VERSION_STRING)
 if (CUSTOM_VERSION_STRING)
     set(PROJECT_VERSION ${CUSTOM_VERSION_STRING})
 endif (CUSTOM_VERSION_STRING)
-set(SOVERSION 6)
+set(SOVERSION 8)
 # It is a bit irritating, but this has to be set separately for now!
 SET(CPACK_PACKAGE_VERSION_MAJOR "5")
 SET(CPACK_PACKAGE_VERSION_MINOR "0")
@@ -262,6 +262,10 @@ if (CMAKE_C_COMPILER_ID STREQUAL "PGI")
     message(WARNING "All tested PGI compiler versions (up to 12.9.0) generate binaries which produce incorrect results, or even fail to compile Gromacs. Highly recommended to use a different compiler. If you choose to use PGI, make sure to run the regressiontests.")
 endif()
 
+if(CMAKE_C_COMPILER_ID MATCHES "Intel" AND C_COMPILER_VERSION VERSION_LESS "12.0.0")
+    message(WARNING "Intel compilers before 12.0.0 are not routinely tested, so there may be problems. Version 11.1 with SSE4.1 is known to produce incorrect results. It is highly recommended to use a more up-to-date compiler. If you choose to use this version, make sure you run the regressiontests.")
+endif()
+
 ########################################################################
 # Set up binary and library suffixing 
 ########################################################################
@@ -731,6 +735,9 @@ elseif(${GMX_CPU_ACCELERATION} STREQUAL "SSE4.1")
       message(STATUS "Enabling SSE4.1 Gromacs acceleration, and it will help compiler optimization.")
     endif()
 
+    if(CMAKE_C_COMPILER_ID MATCHES "Intel" AND C_COMPILER_VERSION VERSION_EQUAL "11.1")
+        message(FATAL_ERROR "You are using Intel compiler version 11.1, and that compiler is known to produce incorrect results with SSE4.1 acceleration. You need to use another compiler (e.g. icc 12 or newer) or different acceleration (probably slower simulations).")
+    endif()
 elseif(${GMX_CPU_ACCELERATION} STREQUAL "AVX_128_FMA" OR ${GMX_CPU_ACCELERATION} STREQUAL "AVX_256")
 
     # Set the AVX compiler flag for both these choices!