1 # Build, test, and install variously configured GROMACS installations.
3 # Initial build that always needs to pass before follow-up stages run
11 image: gromacs/cmake-3.9.6-gcc-5-cuda-9.0-openmpi:2020
14 KUBERNETES_CPU_LIMIT: 8
15 KUBERNETES_CPU_REQUEST: 4
16 KUBERNETES_MEMORY_LIMIT: 8Gi
17 CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=None"
18 CMAKE_MPI_OPTIONS: "-DGMX_THREAD_MPI=ON"
19 CMAKE_PRECISION_OPTIONS: "-DGMX_DOUBLE=OFF"
20 CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=Debug"
21 CMAKE_GPU_OPTIONS: "-DGMX_GPU=OFF"
22 CMAKE_GMXAPI_OPTIONS: "-DGMX_PYTHON_PACKAGE=OFF"
23 COMPILER_MAJOR_VERSION: 5
24 BUILD_DIR: simple-build
26 - echo $CMAKE_COMPILER_SCRIPT
27 - echo $CMAKE_EXTRA_OPTIONS
28 - echo $CMAKE_SIMD_OPTIONS
29 - echo $CMAKE_GPU_OPTIONS
30 - echo $CMAKE_MPI_OPTIONS
31 - echo $CMAKE_PRECISION_OPTIONS
32 - echo $CMAKE_BUILD_TYPE_OPTIONS
33 - echo $CMAKE_GMXAPI_OPTIONS
34 - if [[ -d $BUILD_DIR ]] ; then
35 echo "Cleaning up build directory" ;
36 rm -rf $BUILD_DIR && mkdir $BUILD_DIR ;
38 echo "Preparing new build directory" ;
43 -DCMAKE_C_COMPILER_LAUNCHER=ccache -DCMAKE_CXX_COMPILER_LAUNCHER=ccache
44 $CMAKE_COMPILER_SCRIPT
48 $CMAKE_PRECISION_OPTIONS
49 $CMAKE_BUILD_TYPE_OPTIONS
52 -DCMAKE_INSTALL_PREFIX=../$INSTALL_DIR -DGMX_COMPILER_WARNINGS=ON
53 2>&1 | tee cmakeLog.log
54 - awk '/CMake Warning/,/^--|^$/' cmakeLog.log | tee cmakeErrors.log
55 - if [ -s cmakeErrors.log ] ; then echo "Found CMake warning while processing build"; cat cmakeErrors.log ; exit 1; fi
56 - cmake --build . -- -j8 2>&1 | tee buildLogFile.log
57 - cmake --build . --target tests -- -j8 2>&1 | tee testBuildLogFile.log
58 - awk '/warning/,/warning.*generated|^$/' buildLogFile.log testBuildLogFile.log
59 | grep -v "CMake" | tee buildErrors.log || true
60 - grep "cannot be built" buildLogFile.log testBuildLogFile.log | tee -a buildErrors.log || true
61 - cmake --build . --target install 2>&1 | tee installBuildLogFile.log
62 - if [ -s buildErrors.log ] ; then echo "Found compiler warning during build"; cat buildErrors.log; exit 1; fi
63 - ctest -D ExperimentalTest --output-on-failure | tee ctestLog.log || true
64 - awk '/The following tests FAILED/,/^Errors while running CTest|^$/'
65 ctestLog.log | tee ctestErrors.log
66 - xsltproc scripts/CTest2JUnit.xsl Testing/`head -n 1 < Testing/TAG`/Test.xml > JUnitTestResults.xml
67 - if [ -s ctestErrors.log ] ; then
68 echo "Error during running ctest";
74 junit: $BUILD_DIR/JUnitTestResults.xml
80 # Jobs running in first pre-build stage
82 .gromacs:base:configure:
85 stage: configure-build
88 KUBERNETES_CPU_LIMIT: 1
89 KUBERNETES_CPU_REQUEST: 1
90 KUBERNETES_MEMORY_LIMIT: 2Gi
91 CMAKE_COMPILER_SCRIPT: ""
92 CMAKE_EXTRA_OPTIONS: ""
93 CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=AUTO"
94 CMAKE_MPI_OPTIONS: "-DGMX_THREAD_MPI=ON"
95 CMAKE_PRECISION_OPTIONS: "-DGMX_DOUBLE=OFF"
96 CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=Debug"
97 CMAKE_GPU_OPTIONS: "-DGMX_GPU=OFF"
99 - echo $CMAKE_COMPILER_SCRIPT
100 - echo $CMAKE_EXTRA_OPTIONS
101 - echo $CMAKE_SIMD_OPTIONS
102 - echo $CMAKE_GPU_OPTIONS
103 - echo $CMAKE_MPI_OPTIONS
104 - echo $CMAKE_PRECISION_OPTIONS
105 - echo $CMAKE_BUILD_TYPE_OPTIONS
106 - echo $CMAKE_GMXAPI_OPTIONS
107 - if [[ -d $BUILD_DIR ]] ; then
108 rm -rf $BUILD_DIR && mkdir $BUILD_DIR ;
110 echo "Preparing new build directory" ;
115 -DCMAKE_C_COMPILER_LAUNCHER=ccache -DCMAKE_CXX_COMPILER_LAUNCHER=ccache
116 $CMAKE_COMPILER_SCRIPT
120 $CMAKE_PRECISION_OPTIONS
121 $CMAKE_BUILD_TYPE_OPTIONS
123 $CMAKE_GMXAPI_OPTIONS
124 -DCMAKE_INSTALL_PREFIX=../$INSTALL_DIR -DGMX_COMPILER_WARNINGS=ON
125 2>&1 | tee cmakeLog.log
126 - awk '/CMake Warning/,/^--|^$/' cmakeLog.log | tee cmakeErrors.log
127 - if [ -s cmakeErrors.log ] ; then echo "Found CMake warning while processing build"; cat cmakeErrors.log ; exit 1; fi
134 .gromacs:base:release:configure:
137 stage: release-configure
140 KUBERNETES_CPU_LIMIT: 1
141 KUBERNETES_CPU_REQUEST: 1
142 KUBERNETES_MEMORY_LIMIT: 2Gi
143 CMAKE_COMPILER_SCRIPT: ""
144 CMAKE_EXTRA_OPTIONS: ""
145 CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=AUTO"
146 CMAKE_MPI_OPTIONS: "-DGMX_THREAD_MPI=ON"
147 CMAKE_PRECISION_OPTIONS: "-DGMX_DOUBLE=OFF"
148 CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=RelWithAssert"
149 CMAKE_GPU_OPTIONS: "-DGMX_GPU=OFF"
150 CMAKE_REGRESSIONTEST_OPTIONS: "-DREGRESSIONTEST_PATH=../\\$RELEASE_REGRESSIONTESTS"
151 RELEASE_BUILD_DIR: release-builds
152 RELEASE_SOURCE: release-source-from-tarball
153 RELEASE_REGRESSIONTESTS: release-regressiontests-from-tarball
155 - VERSION=`cat version.json |
156 python3 -c "import json,sys; print(json.load(sys.stdin)['version'])"`
157 - if [[ $GROMACS_RELEASE != "true" ]] ; then
158 VERSION=$VERSION-dev ;
160 - SOURCENAME=gromacs-$VERSION
161 - SOURCETARBALL=$SOURCENAME.tar.gz
162 - REGTESTNAME=regressiontests-$VERSION
163 - REGTESTTARBALL=$REGTESTNAME.tar.gz
164 - echo "$SOURCETARBALL"
165 - echo "$REGTESTTARBALL"
166 - RELEASE_TARBALLS=release-tarballs
167 - rm -rf $RELEASE_TARBALLS $RELEASE_SOURCE $RELEASE_REGRESSIONTESTS && mkdir $RELEASE_TARBALLS
168 - mv $SOURCETARBALL $RELEASE_TARBALLS
169 - mv $REGTESTTARBALL $RELEASE_TARBALLS
170 - cd $RELEASE_TARBALLS
171 # We rename the source and regressiontest directories
172 # to have names for them that don't change for different versions.
173 - tar -xf $SOURCETARBALL
174 - mv $SOURCENAME ../$RELEASE_SOURCE
175 - tar -xf $REGTESTTARBALL
176 - mv $REGTESTNAME ../$RELEASE_REGRESSIONTESTS
177 - rm $SOURCETARBALL $REGTESTTARBALL
179 - echo $CMAKE_COMPILER_SCRIPT
180 - echo $CMAKE_EXTRA_OPTIONS
181 - echo $CMAKE_SIMD_OPTIONS
182 - echo $CMAKE_GPU_OPTIONS
183 - echo $CMAKE_MPI_OPTIONS
184 - echo $CMAKE_PRECISION_OPTIONS
185 - echo $CMAKE_BUILD_TYPE_OPTIONS
186 - echo $CMAKE_GMXAPI_OPTIONS
187 - if [[ -d $RELEASE_BUILD_DIR ]] ; then
188 echo "Cleaning up build directory" ;
189 rm -rf $RELEASE_BUILD_DIR && mkdir $RELEASE_BUILD_DIR ;
191 echo "Preparing new build directory" ;
192 mkdir $RELEASE_BUILD_DIR ;
194 - cd $RELEASE_BUILD_DIR
195 - cmake ../$RELEASE_SOURCE/
196 -DCMAKE_C_COMPILER_LAUNCHER=ccache -DCMAKE_CXX_COMPILER_LAUNCHER=ccache
197 $CMAKE_COMPILER_SCRIPT
201 $CMAKE_PRECISION_OPTIONS
202 $CMAKE_BUILD_TYPE_OPTIONS
204 $CMAKE_GMXAPI_OPTIONS
205 $CMAKE_REGRESSIONTEST_OPTIONS
206 -DCMAKE_INSTALL_PREFIX=../$INSTALL_DIR
207 2>&1 | tee cmakeLog.log
208 - awk '/CMake Warning/,/^--|^$/' cmakeLog.log | tee cmakeErrors.log
209 - if [ -s cmakeErrors.log ] ; then echo "Found CMake warning while processing build"; cat cmakeErrors.log ; exit 1; fi
215 - $RELEASE_REGRESSIONTESTS
218 # Templates for configuration stage
220 gromacs:gcc-7:configure:
222 - .gromacs:base:configure
224 - .rules:merge-requests
225 image: gromacs/cmake-3.9.6-gcc-7-amdopencl-clfft-openmpi:2020
227 CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=AVX2_256"
228 CMAKE_GPU_OPTIONS: "-DGMX_GPU=ON -DGMX_USE_OPENCL=ON"
229 COMPILER_MAJOR_VERSION: 7
231 gromacs:gcc-6:configure:
233 - .gromacs:base:configure
236 - .rules:merge-requests
237 image: gromacs/cmake-3.9.6-gcc-6-cuda-10.1-nvidiaopencl-clfft-openmpi:2020
239 CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=SSE4.1"
240 COMPILER_MAJOR_VERSION: 6
241 CMAKE_EXTRA_OPTIONS: "-DGMX_EXTERNAL_CLFFT=ON"
243 gromacs:clang-TSAN:configure:
245 - .gromacs:base:configure
247 - .rules:merge-requests
248 image: gromacs/cmake-3.15.7-llvm-8-tsan:2020
250 COMPILER_MAJOR_VERSION: 8
251 CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=TSAN"
253 gromacs:clang-8:configure:
255 - .gromacs:base:configure
257 - .rules:merge-requests
258 image: gromacs/cmake-3.15.7-llvm-8-intelopencl-openmpi:2020
260 COMPILER_MAJOR_VERSION: 8
262 gromacs:clang-3.6:configure:
264 - .gromacs:base:configure
266 - .rules:merge-requests
267 image: gromacs/cmake-3.9.6-llvm-3.6-amdopencl-openmpi:2020
269 COMPILER_MAJOR_VERSION: "3.6"
270 CMAKE_PRECISION_OPTIONS: "-DGMX_DOUBLE=ON"
271 CMAKE_MPI_OPTIONS: "-DGMX_OPENMP=OFF"
272 CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=SSE4.1"
274 gromacs:clang-static-analyzer:configure:
276 - .gromacs:base:configure
278 - .rules:merge-requests
279 image: gromacs/cmake-3.15.7-llvm-8-tsan:2020
281 CMAKE_COMPILER_SCRIPT: "-DCMAKE_CXX_COMPILER=/usr/local/libexec/c++-analyzer -DCMAKE_C_COMPILER=gcc"
282 CMAKE_EXTRA_OPTIONS: "-DGMX_CLANG_ANALYZER=ON -DGMX_OPENMP=OFF -DGMX_USE_RDTSCP=OFF -DGMX_FFT_LIBRARY=fftpack -DGMX_DEVELOPER_BUILD=ON"
283 CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=None"
285 gromacs:clang-ASAN:configure:
287 - .gromacs:base:configure
289 - .rules:merge-requests
290 image: gromacs/cmake-3.15.7-llvm-8-tsan:2020
292 COMPILER_MAJOR_VERSION: 8
293 CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=ASAN"
295 gromacs:gcc-6:release:configure:
297 - .gromacs:base:release:configure
300 - .rules:nightly-only-for-release
301 image: gromacs/cmake-3.9.6-gcc-6-cuda-10.1-nvidiaopencl-clfft-openmpi:2020
303 COMPILER_MAJOR_VERSION: 6
304 RELEASE_BUILD_DIR: release-builds-gcc
305 CMAKE_EXTRA_OPTIONS: "-DGMX_BUILD_MDRUN_ONLY=ON"
306 CMAKE_BUILD_TYPE_OPTIONS : "-DCMAKE_BUILD_TYPE=RelWithDebug"
307 CMAKE_REGRESSIONTEST_OPTIONS: ""
310 - regressiontests:package
311 - prepare-release-version
313 gromacs:gcc-7:release:configure:
315 - .gromacs:base:release:configure
317 - .rules:nightly-only-for-release
318 image: gromacs/cmake-3.9.6-gcc-7-amdopencl-clfft-openmpi:2020
320 COMPILER_MAJOR_VERSION: 7
321 RELEASE_BUILD_DIR: release-builds-gcc
322 CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=RelWithAssert"
325 - regressiontests:package
326 - prepare-release-version
328 gromacs:clang-3.6:release:configure:
330 - .gromacs:base:release:configure
332 - .rules:nightly-only-for-release
333 image: gromacs/cmake-3.9.6-llvm-3.6-amdopencl-openmpi:2020
335 COMPILER_MAJOR_VERSION: "3.6"
336 RELEASE_BUILD_DIR: release-builds-clang
337 CMAKE_PRECISION_OPTIONS: "-DGMX_DOUBLE=ON"
338 CMAKE_MPI_OPTIONS: "-DGMX_OPENMP=OFF"
339 CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=SSE4.1"
340 CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=RelWithAssert"
343 - regressiontests:package
344 - prepare-release-version
346 gromacs:clang-8:release:configure:
348 - .gromacs:base:release:configure
351 - .rules:nightly-only-for-release
352 image: gromacs/cmake-3.15.7-llvm-8-cuda-10.1-openmpi:2020
354 COMPILER_MAJOR_VERSION: 8
355 RELEASE_BUILD_DIR: release-builds-clang
356 CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=RelWithDebug"
358 # Jobs running during build stage
364 - cmake --build . -- -j8 2>&1 | tee buildLogFile.log
365 - cmake --build . --target tests -- -j8 2>&1 | tee testBuildLogFile.log
366 - awk '/warning/,/warning.*generated|^$/' buildLogFile.log testBuildLogFile.log
367 | grep -v "CMake" | tee buildErrors.log || true
368 - grep "cannot be built" buildLogFile.log testBuildLogFile.log | tee -a buildErrors.log || true
369 - cmake --build . --target install 2>&1 | tee installBuildLogFile.log
370 - if [ -s buildErrors.log ] ; then echo "Found compiler warning during build"; cat buildErrors.log; exit 1; fi
378 .gromacs:static-analyzer-build:
382 - scan-build -o scan_html cmake --build . -- -j8 2>&1 | tee buildLogFile.log
383 - awk '/warning/,/warning.*generated|^$/' buildLogFile.log
384 | grep -v "CMake" | tee buildErrors.log || true
385 - grep "cannot be built" buildLogFile.log | tee -a buildErrors.log || true
386 - if [ -s buildErrors.log ] ; then echo "Found compiler warning during build"; cat buildErrors.log; exit 1; fi
391 - $BUILD_DIR/scan_html
396 - .gromacs:base:build
397 - .before_script:default
399 - .rules:merge-requests
400 image: gromacs/cmake-3.9.6-gcc-7-amdopencl-clfft-openmpi:2020
402 - job: gromacs:gcc-7:configure
408 - .gromacs:base:build
409 - .before_script:default
411 - .rules:merge-requests
412 image: gromacs/cmake-3.9.6-gcc-6-cuda-10.1-nvidiaopencl-clfft-openmpi:2020
414 - job: gromacs:gcc-6:configure
416 gromacs:clang-TSAN:build:
419 - .gromacs:base:build
422 - .rules:merge-requests
423 image: gromacs/cmake-3.15.7-llvm-8-tsan:2020
425 - job: gromacs:clang-TSAN:configure
427 gromacs:clang-ASAN:build:
430 - .gromacs:base:build
433 - .rules:merge-requests
434 image: gromacs/cmake-3.15.7-llvm-8-tsan:2020
436 - job: gromacs:clang-ASAN:configure
438 gromacs:clang-static-analyzer:build:
441 - .gromacs:static-analyzer-build
444 - .rules:merge-requests
445 image: gromacs/cmake-3.15.7-llvm-8-tsan:2020
447 - job: gromacs:clang-static-analyzer:configure
449 gromacs:clang-8:build:
452 - .gromacs:base:build
453 - .before_script:default
455 - .rules:merge-requests
456 image: gromacs/cmake-3.15.7-llvm-8-intelopencl-openmpi:2020
458 - job: gromacs:clang-8:configure
460 gromacs:clang-3.6:build:
463 - .gromacs:base:build
464 - .before_script:default
466 - .rules:merge-requests
467 image: gromacs/cmake-3.9.6-llvm-3.6-amdopencl-openmpi:2020
469 - job: gromacs:clang-3.6:configure
471 gromacs:gcc-6:release:build:
474 - .gromacs:base:build
475 - .before_script:default
477 - .rules:nightly-only-for-release
480 BUILD_DIR: release-builds-gcc
481 image: gromacs/cmake-3.9.6-gcc-6-cuda-10.1-nvidiaopencl-clfft-openmpi:2020
483 - job: gromacs:gcc-6:release:configure
485 gromacs:gcc-7:release:build:
488 - .gromacs:base:build
489 - .before_script:default
491 - .rules:nightly-only-for-release
494 BUILD_DIR: release-builds-gcc
495 image: gromacs/cmake-3.9.6-gcc-7-amdopencl-clfft-openmpi:2020
497 - job: gromacs:gcc-7:release:configure
499 gromacs:clang-3.6:release:build:
502 - .gromacs:base:build
503 - .before_script:default
505 - .rules:nightly-only-for-release
508 BUILD_DIR: release-builds-clang
509 image: gromacs/cmake-3.9.6-llvm-3.6-amdopencl-openmpi:2020
511 - job: gromacs:clang-3.6:release:configure
513 gromacs:clang-8:release:build:
516 - .gromacs:base:build
517 - .before_script:default
519 - .rules:nightly-only-for-release
522 BUILD_DIR: release-builds-clang
523 image: gromacs/cmake-3.15.7-llvm-8-cuda-10.1-openmpi:2020
525 - job: gromacs:clang-8:release:configure
527 # Jobs running during test stage
537 CTEST_RUN_MODE: "ExperimentalTest"
540 # Needed to run MPI enabled code in the docker images, until we set up different users
541 - export OMPI_ALLOW_RUN_AS_ROOT=1
542 - export OMPI_ALLOW_RUN_AS_ROOT_CONFIRM=1
543 - ctest -D $CTEST_RUN_MODE --output-on-failure | tee ctestLog.log || true
544 - awk '/The following tests FAILED/,/^Errors while running CTest|^$/'
545 ctestLog.log | tee ctestErrors.log
546 - if [ $CTEST_RUN_MODE == "ExperimentalTest" ] ; then
547 xsltproc scripts/CTest2JUnit.xsl Testing/`head -n 1 < Testing/TAG`/Test.xml > JUnitTestResults.xml;
549 touch JUnitTestResults.xml;
551 - if [ -s ctestErrors.log ] ; then
552 echo "Error during running ctest";
558 junit: $BUILD_DIR/JUnitTestResults.xml
565 .gromacs:base:regressiontest:
569 REGRESSIONTEST_TOTAL_RANK_NUMBER: 4
570 REGRESSIONTEST_OMP_RANK_NUMBER: 2
571 REGRESSIONTEST_PME_RANK_NUMBER: 1
572 REGRESSIONTEST_MPI_RUN_COMMAND: ""
573 REGRESSIONTEST_DOUBLE: ""
574 REGRESSIONTEST_PARALLEL: "-nt"
580 # This should go away once we are able to run ASAN on mdrun
581 - export ASAN_OPTIONS="detect_leaks=0"
582 # Needed to run MPI enabled code in the docker images, until we set up different users
583 - export OMPI_ALLOW_RUN_AS_ROOT=1
584 - export OMPI_ALLOW_RUN_AS_ROOT_CONFIRM=1
585 - tar xzf gmx-regressiontests.tar.gz
586 - source $INSTALL_DIR/bin/GMXRC
588 - perl gmxtest.pl $REGRESSIONTEST_PARALLEL $REGRESSIONTEST_TOTAL_RANK_NUMBER -ntomp $REGRESSIONTEST_OMP_RANK_NUMBER -npme $REGRESSIONTEST_PME_RANK_NUMBER $REGRESSIONTEST_DOUBLE $REGRESSIONTEST_MPI_RUN_COMMAND -xml all
591 junit: regressiontests/gmxtest.xml
598 - .rules:merge-requests
599 image: gromacs/cmake-3.9.6-gcc-7-amdopencl-clfft-openmpi:2020
601 KUBERNETES_EXTENDED_RESOURCE_NAME: "amd.com/gpu"
602 KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
604 - job: gromacs:gcc-7:build
609 - .rules:merge-requests
610 image: gromacs/cmake-3.9.6-gcc-6-cuda-10.1-nvidiaopencl-clfft-openmpi:2020
612 KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
613 KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
615 - job: gromacs:gcc-6:build
617 gromacs:clang-8:test:
620 - .rules:merge-requests
621 image: gromacs/cmake-3.15.7-llvm-8-intelopencl-openmpi:2020
623 - job: gromacs:clang-8:build
625 gromacs:clang-TSAN:test:
628 - .rules:merge-requests
629 image: gromacs/cmake-3.15.7-llvm-8-tsan:2020
631 - job: gromacs:clang-TSAN:build
633 gromacs:clang-ASAN:test:
637 - .rules:merge-requests
638 image: gromacs/cmake-3.15.7-llvm-8-tsan:2020
640 CTEST_RUN_MODE: "ExperimentalMemCheck"
642 - job: gromacs:clang-ASAN:build
644 gromacs:clang-3.6:test:
647 - .rules:merge-requests
648 image: gromacs/cmake-3.9.6-llvm-3.6-amdopencl-openmpi:2020
650 - job: gromacs:clang-3.6:build
652 gromacs:gcc-7:regressiontest:
654 - .gromacs:base:regressiontest
655 - .rules:merge-requests
656 image: gromacs/cmake-3.9.6-gcc-7-amdopencl-clfft-openmpi:2020
658 KUBERNETES_EXTENDED_RESOURCE_NAME: "amd.com/gpu"
659 KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
660 REGRESSIONTEST_PME_RANK_NUMBER: 0
661 REGRESSIONTEST_TOTAL_RANK_NUMBER: 2
662 REGRESSIONTEST_OMP_RANK_NUMBER: 1
664 - job: gromacs:gcc-7:build
665 - job: regressiontests:prepare
667 gromacs:gcc-6:regressiontest:
669 - .gromacs:base:regressiontest
670 - .rules:merge-requests
671 image: gromacs/cmake-3.9.6-gcc-6-cuda-10.1-nvidiaopencl-clfft-openmpi:2020
673 KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
674 KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
675 REGRESSIONTEST_PME_RANK_NUMBER: 0
676 REGRESSIONTEST_TOTAL_RANK_NUMBER: 2
677 REGRESSIONTEST_OMP_RANK_NUMBER: 1
679 - job: gromacs:gcc-6:build
680 - job: regressiontests:prepare
682 gromacs:clang-8:regressiontest:
684 - .gromacs:base:regressiontest
685 - .rules:merge-requests
686 image: gromacs/cmake-3.15.7-llvm-8-intelopencl-openmpi:2020
688 - job: gromacs:clang-8:build
689 - job: regressiontests:prepare
691 gromacs:clang-TSAN:regressiontest:
693 - .gromacs:base:regressiontest
694 - .rules:merge-requests
695 image: gromacs/cmake-3.15.7-llvm-8-tsan:2020
697 - job: gromacs:clang-TSAN:build
698 - job: regressiontests:prepare
700 gromacs:clang-ASAN:regressiontest:
702 - .gromacs:base:regressiontest
704 - .rules:merge-requests
705 image: gromacs/cmake-3.15.7-llvm-8-tsan:2020
707 - job: gromacs:clang-ASAN:build
708 - job: regressiontests:prepare
710 gromacs:clang-3.6:regressiontest:
712 - .gromacs:base:regressiontest
713 - .rules:merge-requests
714 image: gromacs/cmake-3.9.6-llvm-3.6-amdopencl-openmpi:2020
716 REGRESSIONTEST_DOUBLE: "-double"
717 REGRESSIONTEST_OMP_RANK_NUMBER: 0
719 - job: gromacs:clang-3.6:build
720 - job: regressiontests:prepare
722 gromacs:gcc-6:release:test:
725 - .rules:nightly-only-for-release
727 image: gromacs/cmake-3.9.6-gcc-6-cuda-10.1-nvidiaopencl-clfft-openmpi:2020
729 BUILD_DIR: release-builds-gcc
731 - job: gromacs:gcc-6:release:configure
732 - job: gromacs:gcc-6:release:build
734 gromacs:gcc-7:release:test:
737 - .rules:nightly-only-for-release
739 image: gromacs/cmake-3.9.6-gcc-7-amdopencl-clfft-openmpi:2020
741 BUILD_DIR: release-builds-gcc
743 - job: gromacs:gcc-7:release:configure
744 - job: gromacs:gcc-7:release:build
746 gromacs:clang-3.6:release:test:
749 - .rules:nightly-only-for-release
751 image: gromacs/cmake-3.9.6-llvm-3.6-amdopencl-openmpi:2020
753 BUILD_DIR: release-builds-clang
755 - job: gromacs:clang-3.6:release:configure
756 - job: gromacs:clang-3.6:release:build
758 gromacs:clang-8:release:test:
761 - .rules:nightly-only-for-release
763 image: gromacs/cmake-3.15.7-llvm-8-cuda-10.1-openmpi:2020
765 BUILD_DIR: release-builds-clang
767 - job: gromacs:clang-8:release:configure
768 - job: gromacs:clang-8:release:build
770 gromacs:gcc-7:release:regressiontest:
772 - .gromacs:base:regressiontest
773 - .rules:nightly-only-for-release
775 image: gromacs/cmake-3.9.6-gcc-7-amdopencl-clfft-openmpi:2020
777 BUILD_DIR: release-builds-gcc
779 - job: gromacs:gcc-7:release:build
780 - job: regressiontests:package
782 gromacs:clang-3.6:release:regressiontest:
784 - .gromacs:base:regressiontest
785 - .rules:nightly-only-for-release
787 image: gromacs/cmake-3.9.6-llvm-3.6-amdopencl-openmpi:2020
789 BUILD_DIR: release-builds-clang
790 REGRESSIONTEST_DOUBLE: "-double"
791 REGRESSIONTEST_OMP_RANK_NUMBER: 0
793 - job: gromacs:clang-3.6:release:build
794 - job: regressiontests:package
796 gromacs:clang-8:release:regressiontest:
798 - .gromacs:base:regressiontest
799 - .rules:nightly-only-for-release
801 image: gromacs/cmake-3.15.7-llvm-8-cuda-10.1-openmpi:2020
803 BUILD_DIR: release-builds-clang
804 KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
805 KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
806 REGRESSIONTEST_PME_RANK_NUMBER: 0
807 REGRESSIONTEST_TOTAL_RANK_NUMBER: 2
808 REGRESSIONTEST_OMP_RANK_NUMBER: 1
811 - job: gromacs:clang-8:release:build
812 - job: regressiontests:package