From fa102e69f48a80a8fcdfb338f976e8f1ef20182d Mon Sep 17 00:00:00 2001 From: Raimondas Galvelis Date: Thu, 26 May 2022 20:47:40 +0200 Subject: [PATCH] Update the test models and CI dependencies (#73) * Update dependencies * Downgrade GCC * Reverse enginier a model generator * Regenerate the model with PyTorch 1.11 * Update to PyTorch 1.11 * Update to Python 3.10 * Empty line * Simplify the test models --- .github/workflows/CI.yml | 14 +++++++------- tests/central.pt | Bin 1621 -> 1354 bytes tests/forces.pt | Bin 1605 -> 1605 bytes tests/generate.py | 24 ++++++++++++++++++++++++ tests/global.pt | Bin 1285 -> 1477 bytes tests/periodic.pt | Bin 2335 -> 1551 bytes 6 files changed, 31 insertions(+), 7 deletions(-) create mode 100644 tests/generate.py diff --git a/.github/workflows/CI.yml b/.github/workflows/CI.yml index c539f8a8..5f8a4aae 100644 --- a/.github/workflows/CI.yml +++ b/.github/workflows/CI.yml @@ -23,22 +23,22 @@ jobs: matrix: include: # Oldest supported versions - - name: Linux (CUDA 10.2, Python 3.7, PyTorch 1.7) + - name: Linux (CUDA 10.2, Python 3.7, PyTorch 1.11) os: ubuntu-18.04 cuda-version: "10.2.89" - gcc-version: "9.4.*" + gcc-version: "8.5.*" nvcc-version: "10.2" python-version: "3.7" - pytorch-version: "1.7.*" + pytorch-version: "1.11.*" # Latest supported versions - - name: Linux (CUDA 11.2, Python 3.9, PyTorch 1.10) + - name: Linux (CUDA 11.2, Python 3.10, PyTorch 1.11) os: ubuntu-18.04 cuda-version: "11.2.2" - gcc-version: "11.2.*" + gcc-version: "10.3.*" nvcc-version: "11.2" - python-version: "3.9" - pytorch-version: "1.10.*" + python-version: "3.10" + pytorch-version: "1.11.*" - name: MacOS (Python 3.9, PyTorch 1.9) os: macos-11 diff --git a/tests/central.pt b/tests/central.pt index b190c8f4c19dafd9004b796aed8a8511fe9ac6e8..f0fbcf3a825facebba2560d00b183d579ee42f52 100644 GIT binary patch literal 1354 zcmWIWW@cev;NW1u00Im`49Tf^B}Iuj`YDMeiFyUuIc`pT3{fbcfhjpYz9hdWIU_!v z%Ne4atB^snu~s7jWGGO3W?p7qdLd&+gcy(?pIIEAR+^I&pOl!KU7lE!5}%QupIyl0 zSDIAFtQX+T&T%-;ZNDE-B?t!qT_*x`9j5an8MNW9OU_S8)rY%6ub|S+Ngd6ZC~ijP zg!UQoA5su#Ew4Y?tGZHF#-#;vn=|&W>bMsDpOKS!;_3;#8JmhNRutY8@wX7x zO|5TBIjMa;e8aBEW(ghImtEfW=&%cYv`{WP?w@;*fytFq|E==IhR<(1ita}&KOSwk+rSe0?YM5fnvDAnP)LDK%V0b6lDe;+<~H(lA2VS9uJO14tVhR_Iq<3 zG7xCH+&+8WqSIogjjx=JNS|TdrCWAO#OJb&SK)KL^5VC=HFFM&xcrrvF~2|Y!TuJ> z36m;B9UUOS zlTBda$v@o3mO3n3?N`!vlCfIxTG%V)<+?v53fg33}@`_6m z^Gb>#$(S7$01Zr<;8d5Z&lwKP2n-+$N_E&xy>ehCb{yL!QkiJA-kq6mcE6d~v{)ufNU=!Bmp5xqNKDFP zhIF_kUA?#Tj=P>=Tg}Zfd7YGcsl^J#=YO6aOoA_t)>y@Hsl;cHI6xw)D~ zPR1FxvYp-VaJwFt%7#)eb@{%sZ@b63+oc}w?Q10k#IZd?!X3PZvcoOUcB{(b{qVB^ z7Q4&fEN!=QSo3_7249YSOe054S*dDDSN0vgv29zt3SKUkzH5Q=fQIbt@4r6+1vtjj zFi(~v8oGSXKN#_F)N5{P|3$=yNlMuarELgF1PP`IMx>Zz1gDG?S<1G-;xSkt6Bqay zaZ^Pm0ts(6VkF{WVPU0O61ny);FPwfz??TFS%E9Fcaz}G6DPt;q+?dGzW~}7$0t$ ztViKYB&_z&{2o^uC+Z-DUdJ^Y`M~9t zj(bPE54Nc$RL?Zk(oJwu!_EXO+mVK8yoXKc`do{nJ;dToL0%|m^$bwqj9tIO-R%I~ z=?~5X=tITm{Po(hdWQM?_I2vVPaqRVi%sCu61`LL_oj@Bgrr`rv~#>m=Ms+3U^R43 zagzp#SJ!+3L+P>Sh z9%H#wbSGnnbiVbj5^h(E&O2>d(z;+$;H~voGcBexKHrrR)qx zo?O+R;>jymw_tx>iH2g$f;Dx0#d{i?9b3XP&3IZR+3oG-#i{S zu6?@N>r+ma2mAfp+Xv50J7jGgw&SkW(?uKIWa0w6**TVeR^Z$X^q3gq#04_UN(`nG z_e)NWX60gWb20?^P`^GZYU-rDeuoVNj!&L8ZIyrGww7(3A`=`!rB&Fb1)I06@qDZ{ zagxP94pHgZ_b1FWf8cDxV5ZU{IA7;y$+!3C>VN(>DLT-lBYNeO?go{uj`>x#?&Yic zLYDk!;A@dho@OO8y>x-D__0LO0ey*B1 ze=^r^9lcdezn2^=4PDEU`1{Uju7})bSic*`B#UvsG3_tmG4}LNV7xAr!>PaX95bgf z=X$OE4c?r|ocZ;y-v2E4uPlG1#%;Uu=~>yDq0v@`QHvLec~4pKMDF?=1M#(o^sZjA z3hWFLs824OH7lW;Z}mpb(rs@Ie0=LSP2s&y^gWewwIcV6KB^+cg@>>?G&a_h}rS&2L(-r4xExs7c@xbd)=bhf% zr~7s9c+5C)_sF^S$t!Jl1YVf=ofQ-fm%q(B70bxLP|eK15a7+s!oa}60gM$On8?Q? 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