diff --git a/BasicScientficResearch/ambertools-21/ambertools-21.sh b/BasicScientficResearch/ambertools-21/ambertools-21.sh index 11e2b4304c2a6d27089efe9522edd4c1abbbd760..2f28d72879ea82ebb9321969a206701dafadc53e 100644 --- a/BasicScientficResearch/ambertools-21/ambertools-21.sh +++ b/BasicScientficResearch/ambertools-21/ambertools-21.sh @@ -33,7 +33,7 @@ cd "$buildpath"/amber20_src patch -p2 <./cmake.defaults.patch cd build/ export CMAKE_PREFIX_PATH=$installpath/openblas -FLAGS="-mcpu=tsv110 -I$installpath/hmpi-1.1.1/hmpi-1.1.1-huawei/include" +FLAGS="-mcpu=tsv110 -ffp-contract=off -I$installpath/hmpi-1.1.1/hmpi-1.1.1-huawei/include" cmake .. \ -DCMAKE_INSTALL_PREFIX="$installpath"/ambertools21 \ -DCOMPILER=AUTO \ diff --git "a/BasicScientficResearch/ambertools-21/doc/AmberTools-21\345\272\224\347\224\250\347\247\273\346\244\215\346\214\207\345\215\227.docx" "b/BasicScientficResearch/ambertools-21/doc/AmberTools-21\345\272\224\347\224\250\347\247\273\346\244\215\346\214\207\345\215\227.docx" index b8d6cf03057954fbc34b9c91e047897a9792ca6c..6a4b76c96c41cd073f2b722ac2e4de69a8b4ce90 100644 Binary files "a/BasicScientficResearch/ambertools-21/doc/AmberTools-21\345\272\224\347\224\250\347\247\273\346\244\215\346\214\207\345\215\227.docx" and "b/BasicScientficResearch/ambertools-21/doc/AmberTools-21\345\272\224\347\224\250\347\247\273\346\244\215\346\214\207\345\215\227.docx" differ diff --git "a/BasicScientficResearch/ambertools-21/doc/Devkit\346\212\245\345\221\212/AmberTools-21 Devkit\350\277\201\347\247\273\344\270\216\350\260\203\344\274\230\346\212\245\345\221\212.docx" "b/BasicScientficResearch/ambertools-21/doc/Devkit\346\212\245\345\221\212/AmberTools-21 Devkit\350\277\201\347\247\273\344\270\216\350\260\203\344\274\230\346\212\245\345\221\212.docx" index e2fe65655513d8b07eee3724049617b0567ba37e..661dc8c8aa83420c80a97d29f7ca3fd3164a42dc 100644 Binary files "a/BasicScientficResearch/ambertools-21/doc/Devkit\346\212\245\345\221\212/AmberTools-21 Devkit\350\277\201\347\247\273\344\270\216\350\260\203\344\274\230\346\212\245\345\221\212.docx" and "b/BasicScientficResearch/ambertools-21/doc/Devkit\346\212\245\345\221\212/AmberTools-21 Devkit\350\277\201\347\247\273\344\270\216\350\260\203\344\274\230\346\212\245\345\221\212.docx" differ