From 1c9ec6dcd4e6b0402e10c0477f2fa666ffee57f5 Mon Sep 17 00:00:00 2001 From: JeshuaRen <270813223@qq.com> Date: Mon, 11 Aug 2025 10:11:16 +0800 Subject: [PATCH] fix --- common/assets/confs/test.json | 59 +++++++++++++++++------------------ go.mod | 1 + go.sum | 2 ++ 3 files changed, 32 insertions(+), 30 deletions(-) diff --git a/common/assets/confs/test.json b/common/assets/confs/test.json index 6333cc7..6c09dfe 100644 --- a/common/assets/confs/test.json +++ b/common/assets/confs/test.json @@ -1,33 +1,32 @@ { - "userID": 53, - "jobSetInfo": { - "jobs": [ - { - "localJobID": "1", - "type": "HPC", - "name": "vasp_04161559", //名字 - "clusterId": "1830873578531228942", - "backend": "slurm", - "app": "vasp", - "operateType": "", - "parameters": { - "hpcBindingFiles": [ - { - "paramName": "scriptDir", - "objectID": 110964 - } - ], - "partition": "ft_test", - "ntasks": "1", - "nodes": "1" - }, - "scriptContent": "#!/bin/bash\n\n#SBATCH --job-name=test_vasp\n#SBATCH --output=%x_%j.out\n#SBATCH --error=%x_%j.err\n#SBATCH --partition=ft_test\n#SBATCH --ntasks=32\n#SBATCH --nodes=2\n\nmodule load mpich/mpi-x\ncd test_xunfei\n\n\nlog() {\n local level=$1\n local message=$2\n local timestamp=$(date '+%Y-%m-%d %H:%M:%S')\n echo \"[$timestamp] [$level] $message\" | tee -a $LOGFILE\n}\n\nLOGFILE=\"run.log\"\n\nset -e\ntrap 'log \"ERROR\" \"脚本在第 $LINENO 行退出。\"; exit 1;' ERR\n\nlog \"INFO\" \"作业开始\"\n\n# 定义计算步骤\nSTEPS=(\"relax\" \"scf\" \"band\")\nVASP_CMD=\"yhrun --mpi=pmix /vol8/appsoftware/VASP/vasp.5.4.4/bin/vasp_std\"\n\n# 创建目录\nfor step in \"${STEPS[@]}\"; do\n mkdir -p $step\ndone\n\n# 步骤 1: Relax 计算\nlog \"INFO\" \"开始relax计算\"\ncp ../INCAR_relax relax/INCAR\ncp ../KPOINTS_relax relax/KPOINTS\ncp ../POSCAR relax/POSCAR\ncp ../POTCAR relax/POTCAR\ncd relax\n$VASP_CMD || { log \"ERROR\" \"Relax 计算失败\"; exit 1; }\nlog \"INFO\" \"relax计算完成\"\ncd ../\n\n# 步骤 2: SCF 计算\nlog \"INFO\" \"开始scf计算\"\ncp ../relax/CONTCAR scf/POSCAR\ncp ../INCAR_scf scf/INCAR\ncp ../KPOINTS_scf scf/KPOINTS\ncp ../POTCAR scf/POTCAR\ncd scf\n$VASP_CMD || { log \"ERROR\" \"SCF 计算失败\"; exit 1; }\nlog \"INFO\" \"scf计算完成\"\ncd ../\n\n# 步骤 3: band 计算\nlog \"INFO\" \"开始band计算\"\ncp ../INCAR_band band/INCAR\ncp ../KPOINTS_band band/KPOINTS\ncp ../scf/POTCAR band/POTCAR\ncp ../scf/POSCAR band/POSCAR\ncp ../scf/WAVECAR band/WAVECAR\ncp ../scf/CHGCAR band/CHGCAR\ncd band\n$VASP_CMD || { log \"ERROR\" \"Band 计算失败\"; exit 1; }\nlog \"INFO\" \"band计算完成\"\n\nlog \"INFO\" \"作业结束\"\n" - }, - { - "localJobID": "4", - "type": "DataReturn", - "targetLocalJobID": "1" - } + "userID": 70, + "name": "model-072901", + "dataType": "model", + "packageID": 0, + "uploadPriority": { + "type": "specify", + "clusters": [ + "1790300942428540928" ] + }, + "bindingInfo": { + "clusterIDs": [ + "1790300942428540928" + ], + "name": "model-072901", + "category": "", + "type": "model", + "imageID": "", + "bias": [], + "region": [], + "chip": [ + "GPU" + ], + "selectedCluster": [], + "modelType": "image_classification", + "env": "pytorch", + "version": "", + "packageID": 0, + "points": 0 } -} +} \ No newline at end of file diff --git a/go.mod b/go.mod index 9abf2e4..20f0cd5 100644 --- a/go.mod +++ b/go.mod @@ -61,6 +61,7 @@ require ( github.com/jinzhu/inflection v1.0.0 // indirect github.com/jinzhu/now v1.1.5 // indirect github.com/jtolds/gls v4.20.0+incompatible // indirect + github.com/karlseguin/ccache v2.0.3+incompatible // indirect github.com/kevinburke/ssh_config v1.2.0 // indirect github.com/pjbgf/sha1cd v0.3.2 // indirect github.com/pkg/errors v0.9.1 // indirect diff --git a/go.sum b/go.sum index d55082f..4c9ffb3 100644 --- a/go.sum +++ b/go.sum @@ -306,6 +306,8 @@ github.com/jstemmer/go-junit-report v0.0.0-20190106144839-af01ea7f8024/go.mod h1 github.com/jstemmer/go-junit-report v0.9.1/go.mod h1:Brl9GWCQeLvo8nXZwPNNblvFj/XSXhF0NWZEnDohbsk= github.com/jtolds/gls v4.20.0+incompatible h1:xdiiI2gbIgH/gLH7ADydsJ1uDOEzR8yvV7C0MuV77Wo= github.com/jtolds/gls v4.20.0+incompatible/go.mod h1:QJZ7F/aHp+rZTRtaJ1ow/lLfFfVYBRgL+9YlvaHOwJU= +github.com/karlseguin/ccache v2.0.3+incompatible h1:j68C9tWOROiOLWTS/kCGg9IcJG+ACqn5+0+t8Oh83UU= +github.com/karlseguin/ccache v2.0.3+incompatible/go.mod h1:CM9tNPzT6EdRh14+jiW8mEF9mkNZuuE51qmgGYUB93w= github.com/kevinburke/ssh_config v1.2.0 h1:x584FjTGwHzMwvHx18PXxbBVzfnxogHaAReU4gf13a4= github.com/kevinburke/ssh_config v1.2.0/go.mod h1:CT57kijsi8u/K/BOFA39wgDQJ9CxiF4nAY/ojJ6r6mM= github.com/kisielk/errcheck v1.5.0/go.mod h1:pFxgyoBC7bSaBwPgfKdkLd5X25qrDl4LWUI2bnpBCr8=