Merge branch 'hotfix' into develop

spirit-code · Apr 5, 2019 · f3c2c21 · f3c2c21
2 parents 175e056 + fe41ded
commit f3c2c21
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Showing 247 changed files with 18,685 additions and 6,938 deletions.
diff --git a/.travis.yml b/.travis.yml
@@ -39,7 +39,7 @@ matrix:
           - sourceline: 'ppa:ubuntu-toolchain-r/test'
           - sourceline: 'ppa:beineri/opt-qt571-trusty'
           - sourceline: 'ppa:jonathonf/python-2.7'
-    # Linux, GCC 5.1
+    # Linux, GCC 5
     - os: linux
       env: COMPILER_C=gcc-5 COMPILER_CXX=g++-5 CMAKE_OPTIONS="-DUSER_PATH_QT=~/opt/qt57" PYPI=false
       compiler: g++
@@ -55,19 +55,22 @@ matrix:
           - sourceline: 'ppa:ubuntu-toolchain-r/test'
           - sourceline: 'ppa:beineri/opt-qt571-trusty'
           - sourceline: 'ppa:jonathonf/python-2.7'
-    # # Linux, GCC 5.1 CUDA build
-    # - os: linux
-    #   env: COMPILER_C=gcc-5 COMPILER_CXX=g++-5 RUNTESTS=false USE_CUDA=true CMAKE_OPTIONS="-DUI_CXX_USE_QT=OFF -DSPIRIT_USE_CUDA=ON" PYPI=false
-    #   compiler: g++
-    #   addons:
-    #     apt:
-    #       packages:
-    #       - g++-5
-    #       - qt57base
-    #       - qt57charts-no-lgpl
-    #       sources:
-    #       - sourceline: 'ppa:ubuntu-toolchain-r/test'
-    #       - sourceline: 'ppa:beineri/opt-qt571-trusty'
+    # Linux, GCC 6 CUDA build
+    - os: linux
+      env: COMPILER_C=gcc-6 COMPILER_CXX=g++-6 RUNTESTS=false USE_CUDA=true CMAKE_OPTIONS="-DUI_CXX_USE_QT=OFF -DSPIRIT_USE_CUDA=ON" PYPI=false
+      compiler: g++
+      addons:
+        apt:
+          packages:
+          - g++-6
+          - qt57base
+          - qt57charts-no-lgpl
+          - ca-certificates
+          - python2.7
+          sources:
+          - sourceline: 'ppa:ubuntu-toolchain-r/test'
+          - sourceline: 'ppa:beineri/opt-qt571-trusty'
+          - sourceline: 'ppa:jonathonf/python-2.7'
     # Linux, GCC 6 OpenMP build
     - os: linux
       env: COMPILER_C=gcc-6 COMPILER_CXX=g++-6 OMP_NUM_THREADS=4 CMAKE_OPTIONS="-DUI_CXX_USE_QT=OFF -DSPIRIT_USE_OPENMP=ON" PYPI=false
@@ -164,18 +167,18 @@ before_install:
   # Install CUDA
   - |
     if [[ "$USE_CUDA" == "true" ]]; then
-      export CUDA=8.0.61-1
+      export CUDA=10.1.105-1
       # get cuda-repo-ubuntu1404
       travis_retry wget http://developer.download.nvidia.com/compute/cuda/repos/ubuntu1404/x86_64/cuda-repo-ubuntu1404_${CUDA}_amd64.deb
       travis_retry sudo dpkg -i cuda-repo-ubuntu1404_${CUDA}_amd64.deb
       # install
       travis_retry sudo apt-get update -qq
-      export CUDA_APT=${CUDA:0:3}
+      export CUDA_APT=${CUDA:0:4}
       export CUDA_APT=${CUDA_APT/./-}
-      travis_retry sudo apt-get install -y cuda-drivers cuda-core-${CUDA_APT} cuda-cudart-dev-${CUDA_APT} cuda-curand-dev-${CUDA_APT} cuda-cufft-dev-${CUDA_APT}
+      travis_retry sudo apt-get install -y cuda-drivers cuda-core-${CUDA_APT} cuda-cudart-dev-${CUDA_APT} cuda-curand-dev-${CUDA_APT} cuda-cufft-dev-${CUDA_APT} --allow-unauthenticated
       travis_retry sudo apt-get clean
       # export
-      export CUDA_HOME=/usr/local/cuda-${CUDA:0:3}
+      export CUDA_HOME=/usr/local/cuda-${CUDA:0:4}
       export LD_LIBRARY_PATH=${CUDA_HOME}/lib64:${LD_LIBRARY_PATH}
       export PATH=${CUDA_HOME}/bin:${PATH}
       export CMAKE_OPTIONS="${CMAKE_OPTIONS} -DCMAKE_C_COMPILER=${COMPILER_C} -DCMAKE_CXX_COMPILER=${COMPILER_CXX} -DCUDA_TOOLKIT_ROOT_DIR=${CUDA_HOME}"

diff --git a/core/CMakeLists.txt b/core/CMakeLists.txt
@@ -105,7 +105,7 @@ set(META_AUTHOR_MAINTAINER    "Gideon Mueller")
 set(META_AUTHOR_EMAIL         "g.mueller@fz-juelich.de")
 set(META_VERSION_MAJOR        "1")
 set(META_VERSION_MINOR        "8")
-set(META_VERSION_PATCH        "6")
+set(META_VERSION_PATCH        "7")
 set(META_VERSION              "${META_VERSION_MAJOR}.${META_VERSION_MINOR}.${META_VERSION_PATCH}")
 set(META_VERSION_REVISION     "${GIT_REV}")
 ### Propagate version and name_version upwards

diff --git a/core/src/data/Geometry.cpp b/core/src/data/Geometry.cpp
@@ -377,37 +377,37 @@ namespace Data
 
     std::vector<Vector3> Geometry::BravaisVectorsSC()
     {
-        return { { 1,0,0 },
-                 { 0,1,0 },
-                 { 0,0,1 } };
+        return { { scalar(1), scalar(0), scalar(0) },
+                 { scalar(0), scalar(1), scalar(0) },
+                 { scalar(0), scalar(0), scalar(1) } };
     }
 
     std::vector<Vector3> Geometry::BravaisVectorsFCC()
     {
-        return { { 0.5,0.0,0.5 },
-                 { 0.5,0.5,0.0 },
-                 { 0.0,0.5,0.5 } };
+        return { { scalar(0.5), scalar(0.0), scalar(0.5) },
+                 { scalar(0.5), scalar(0.5), scalar(0.0) },
+                 { scalar(0.0), scalar(0.5), scalar(0.5) } };
     }
 
     std::vector<Vector3> Geometry::BravaisVectorsBCC()
     {
-        return { { 0.5, 0.5,-0.5 },
-                 { -0.5, 0.5,-0.5 },
-                 { 0.5,-0.5, 0.5 } };
+        return { { scalar( 0.5), scalar( 0.5), scalar(-0.5) },
+                 { scalar(-0.5), scalar( 0.5), scalar(-0.5) },
+                 { scalar( 0.5), scalar(-0.5), scalar( 0.5) } };
     }
 
     std::vector<Vector3> Geometry::BravaisVectorsHex2D60()
     {
-        return { { 0.5*std::sqrt(3), -0.5, 0 },
-                 { 0.5*std::sqrt(3),  0.5, 0 },
-                 { 0,   0,                 1 } };
+        return { { scalar(0.5*std::sqrt(3)), scalar(-0.5), scalar(0) },
+                 { scalar(0.5*std::sqrt(3)), scalar( 0.5), scalar(0) },
+                 { scalar(0),                scalar( 0),   scalar(1) } };
     }
 
     std::vector<Vector3> Geometry::BravaisVectorsHex2D120()
     {
-        return { { 0.5, -0.5*std::sqrt(3), 0 },
-                 { 0.5,  0.5*std::sqrt(3), 0 },
-                 { 0,    0,                1 } };
+        return { { scalar(0.5), scalar(-0.5*std::sqrt(3)), scalar(0) },
+                 { scalar(0.5), scalar( 0.5*std::sqrt(3)), scalar(0) },
+                 { scalar(0),   scalar( 0),                scalar(1) } };
     }
 
     void Geometry::applyCellComposition()

diff --git a/core/src/engine/Hamiltonian_Heisenberg.cu b/core/src/engine/Hamiltonian_Heisenberg.cu
@@ -15,11 +15,13 @@
 
 using namespace Data;
 using namespace Utility;
-namespace C = Utility::Constants;
-using Engine::Vectormath::cu_check_atom_type;
-using Engine::Vectormath::cu_idx_from_pair;
+using Utility::Constants::mu_B;
+using Utility::Constants::mu_0;
+using Utility::Constants::Pi;
 using Engine::Vectormath::check_atom_type;
 using Engine::Vectormath::idx_from_pair;
+using Engine::Vectormath::cu_check_atom_type;
+using Engine::Vectormath::cu_idx_from_pair;
 using Engine::Vectormath::cu_tupel_from_idx;
 
 namespace Engine
@@ -121,7 +123,7 @@ namespace Engine
             Neighbours::Get_Neighbours_in_Shells(*geometry, dmi_shell_magnitudes.size(), dmi_pairs, dmi_shells, use_redundant_neighbours);
             for (unsigned int ineigh = 0; ineigh < dmi_pairs.size(); ++ineigh)
             {
-                this->dmi_normals.push_back(Neighbours::DMI_Normal_from_Pair(*geometry, dmi_pairs[ineigh], this->dmi_shell_chirality));
+                this->dmi_normals.push_back(Neighbours::DMI_Normal_from_Pair(*geometry, dmi_pairs[ineigh], dmi_shell_chirality));
                 this->dmi_magnitudes.push_back(dmi_shell_magnitudes[dmi_shells[ineigh]]);
             }
         }