{"id":69162,"date":"2026-01-31T07:41:23","date_gmt":"2026-01-30T23:41:23","guid":{"rendered":"https:\/\/www.wsisp.com\/helps\/69162.html"},"modified":"2026-01-31T07:41:23","modified_gmt":"2026-01-30T23:41:23","slug":"%e3%80%90%e8%bd%af%e4%bb%b6%e5%ae%89%e8%a3%85%e3%80%91nvidia-5080-ubuntu-%e6%9c%8d%e5%8a%a1%e5%99%a8%e7%9a%84-amber24-ambertools25-%e7%9a%84%e6%9e%84%e5%bb%ba%e3%80%81%e7%bc%96%e8%af%91%e4%b8%8e","status":"publish","type":"post","link":"https:\/\/www.wsisp.com\/helps\/69162.html","title":{"rendered":"\u3010\u8f6f\u4ef6\u5b89\u88c5\u3011NVIDIA 5080 Ubuntu \u670d\u52a1\u5668\u7684 Amber24 + AmberTools25 \u7684\u6784\u5efa\u3001\u7f16\u8bd1\u4e0e\u5b89\u88c5"},"content":{"rendered":"<\/p>\n<h4>[\u8f6f\u4ef6\u5b89\u88c5] Amber24 + AmberTools25 \u7684\u6784\u5efa\u3001\u7f16\u8bd1\u4e0e\u5b89\u88c5<\/h4>\n<ul>\n<li>\u4e00\u3001\u4e0b\u8f7d Amber24 \u548c AmberTools25 \u7684\u6e90\u7801\u5305\u5e76\u89e3\u538b<\/li>\n<li>\n<ul>\n<li>1.1 \u4e0b\u8f7d\u6e90\u7801\u5305<\/li>\n<li>1.2 \u89e3\u538b\u4e4b\u524d\u7684\u68c0\u67e5<\/li>\n<li>1.3 \u89e3\u538b\u6e90\u7801\u5305<\/li>\n<\/ul>\n<\/li>\n<li>\u4e8c\u3001\u4e0b\u8f7d\u524d\u7f6e\u8f6f\u4ef6<\/li>\n<li>\n<ul>\n<li>2.1 \u5b89\u88c5 NVIDIA \u9a71\u52a8<\/li>\n<li>2.2 \u5b89\u88c5 CUDA Toolkit<\/li>\n<li>2.3 \u5b89\u88c5 Anaconda3 \u8f6f\u4ef6<\/li>\n<\/ul>\n<\/li>\n<li>\u4e09\u3001Amber24 \u548c AmberTools25 \u7684\u524d\u7f6e\u5de5\u4f5c<\/li>\n<li>\n<ul>\n<li>3.1 \u5b89\u88c5 Amber24 \u548c AmberTools25 \u5fc5\u8981\u7684\u5305<\/li>\n<li>3.2 \u5bf9\u5b89\u88c5\u5305\u8fdb\u884c\u66f4\u65b0<\/li>\n<li>3.3 \u914d\u7f6e\u5b89\u88c5\u5305\u4e2d\u7684 Miniconda \u6587\u4ef6<\/li>\n<\/ul>\n<\/li>\n<li>\u56db\u3001\u914d\u7f6e Amber24 \u7684\u7f16\u8bd1\u9009\u9879<\/li>\n<li>\n<ul>\n<li>4.1 \u5b89\u88c5\u9ed8\u8ba4\u7248\u672c<\/li>\n<li>4.2 \u5b89\u88c5 CPU \u5e76\u884c\u7248\u672c<\/li>\n<li>4.3 \u5b89\u88c5 CUDA \u52a0\u901f\u7248\u672c<\/li>\n<li>4.4 \u5b89\u88c5 CUDA \u52a0\u901f\u7684\u5e76\u884c\u7248\u672c<\/li>\n<\/ul>\n<\/li>\n<li>\u4e94\u3001\u6784\u5efa\u3001\u7f16\u8bd1\u5e76\u5b89\u88c5 Amber24<\/li>\n<li>\u516d\u3001\u914d\u7f6e AmberTools25 \u7684\u7f16\u8bd1\u9009\u9879<\/li>\n<li>\u4e03\u3001\u53c2\u8003<\/li>\n<\/ul>\n<p>\u672c\u6587\u4ecb\u7ecd\u4e86\u5982\u4f55\u5728\u642d\u8f7d NVIDIA 5080 \u7684 Ubuntu 24.04.3 \u670d\u52a1\u5668\u4e0b\u5b89\u88c5 Amber24 + AmberTools25 \u7684\u4e0d\u540c\u7248\u672c\uff0c\u5177\u4f53\u64cd\u4f5c\u65b9\u6cd5\u5982\u4e0b\uff1a<\/p>\n<h2>\u4e00\u3001\u4e0b\u8f7d Amber24 \u548c AmberTools25 \u7684\u6e90\u7801\u5305\u5e76\u89e3\u538b<\/h2>\n<h3>1.1 \u4e0b\u8f7d\u6e90\u7801\u5305<\/h3>\n<p>\u70b9\u51fb\u6b64\u94fe\u63a5\u4e0b\u8f7d Amber24 + AmberTools25 \u7684\u6e90\u7801\u5305 (\u5bc6\u7801\uff1aYYDS)<\/p>\n<h3>1.2 \u89e3\u538b\u4e4b\u524d\u7684\u68c0\u67e5<\/h3>\n<p>\u5728\u7ec8\u7aef\u8f93\u5165\u4ee5\u4e0b\u4ee3\u7801\uff0c\u5bf9\u6e90\u7801\u5305\u8fdb\u884c\u68c0\u67e5\uff1a<\/p>\n<p>md5sum pmemd24.tar.bz2<br \/>\nmd5sum ambertools25.tar.bz2<\/p>\n<p>\u4e0eAmber\u5b98\u7f51\u7ed9\u51fa\u7684\u503c\u8fdb\u884c\u5bf9\u6bd4\uff1a<\/p>\n<p><img decoding=\"async\" src=\"https:\/\/www.wsisp.com\/helps\/wp-content\/uploads\/2026\/01\/20260130234115-697d419b8576d.png\" alt=\"\u5728\u8fd9\u91cc\u63d2\u5165\u56fe\u7247\u63cf\u8ff0\"><\/p>\n<p><img decoding=\"async\" src=\"https:\/\/www.wsisp.com\/helps\/wp-content\/uploads\/2026\/01\/20260130234115-697d419bb083b.png\" alt=\"\u5728\u8fd9\u91cc\u63d2\u5165\u56fe\u7247\u63cf\u8ff0\"><\/p>\n<p><img decoding=\"async\" src=\"https:\/\/www.wsisp.com\/helps\/wp-content\/uploads\/2026\/01\/20260130234115-697d419bd7365.png\" alt=\"\u5728\u8fd9\u91cc\u63d2\u5165\u56fe\u7247\u63cf\u8ff0\"><\/p>\n<h3>1.3 \u89e3\u538b\u6e90\u7801\u5305<\/h3>\n<p>\u5728\u7ec8\u7aef\u8f93\u5165\u4ee5\u4e0b\u547d\u4ee4\u89e3\u538b\u4e24\u4e2a\u6e90\u7801\u5305\uff1a<\/p>\n<p><span class=\"token function\">tar<\/span> xvf pmemd24.tar.bz2<br \/>\n<span class=\"token function\">tar<\/span> xvf ambertools25.tar.bz2<\/p>\n<p><img decoding=\"async\" src=\"https:\/\/www.wsisp.com\/helps\/wp-content\/uploads\/2026\/01\/20260130234116-697d419c08b28.png\" alt=\"\u5728\u8fd9\u91cc\u63d2\u5165\u56fe\u7247\u63cf\u8ff0\"><\/p>\n<h2>\u4e8c\u3001\u4e0b\u8f7d\u524d\u7f6e\u8f6f\u4ef6<\/h2>\n<h3>2.1 \u5b89\u88c5 NVIDIA \u9a71\u52a8<\/h3>\n<p>\u68c0\u67e5\u8ba1\u7b97\u673a\u4e2d\u662f\u5426\u8bc6\u522b\u51fa\u4e86 NVIDIA \u7684\u663e\u5361\uff1a<\/p>\n<p>lspci <span class=\"token operator\">|<\/span> <span class=\"token function\">grep<\/span> -i nvidia<\/p>\n<p><img decoding=\"async\" src=\"https:\/\/www.wsisp.com\/helps\/wp-content\/uploads\/2026\/01\/20260130234116-697d419c226ee.png\" alt=\"\u5728\u8fd9\u91cc\u63d2\u5165\u56fe\u7247\u63cf\u8ff0\"><\/p>\n<p>\u67e5\u770b\u53ef\u4ee5\u5b89\u88c5\u7684\u9a71\u52a8\u7248\u672c\uff1a<\/p>\n<p>ubuntu-drivers devices<\/p>\n<p><img decoding=\"async\" src=\"https:\/\/www.wsisp.com\/helps\/wp-content\/uploads\/2026\/01\/20260130234116-697d419c415b7.png\" alt=\"\u5728\u8fd9\u91cc\u63d2\u5165\u56fe\u7247\u63cf\u8ff0\"><\/p>\n<p>\u5b89\u88c5 NVIDIA \u9a71\u52a8\uff1a<\/p>\n<p>\u65b9\u6cd51\uff1a\u5b89\u88c5\u6307\u5b9a\u7684\u7248\u672c<\/p>\n<p><span class=\"token function\">sudo<\/span> <span class=\"token function\">apt<\/span> <span class=\"token function\">install<\/span> nvidia-driver-XXX <span class=\"token comment\"># XXX \u4e3a\u56fe\u4e2d\u7684\u7248\u672c\u53f7<\/span><\/p>\n<p>\u65b9\u6cd52\uff1a\u7cfb\u7edf\u81ea\u52a8\u8bc6\u522b\u5e76\u5b89\u88c5\u5408\u9002\u7248\u672c (\u672c\u6587\u9009\u62e9\u4e86\u8fd9\u79cd\u5b89\u88c5\u65b9\u5f0f)<\/p>\n<p><span class=\"token function\">sudo<\/span> ubuntu-drivers autoinstall<\/p>\n<p>\u5982\u679c\u6ca1\u6709\u63d0\u793a\u62a5\u9519\uff0c\u90a3\u4e48\u5219\u5b89\u88c5\u5b8c\u6210\uff0c\u63a5\u4e0b\u6765\u91cd\u542f\u8ba1\u7b97\u673a<\/p>\n<p>\u5728\u7ec8\u7aef\u8f93\u5165 nvidia-smi \u51fa\u73b0\u4e0b\u9762\u7684\u754c\u9762\u5219\u89c6\u4e3a\u5b89\u88c5\u6210\u529f\uff1a<\/p>\n<p><img decoding=\"async\" src=\"https:\/\/www.wsisp.com\/helps\/wp-content\/uploads\/2026\/01\/20260130234116-697d419c90f12.png\" alt=\"\u5728\u8fd9\u91cc\u63d2\u5165\u56fe\u7247\u63cf\u8ff0\"><\/p>\n<h3>2.2 \u5b89\u88c5 CUDA Toolkit<\/h3>\n<p>ambertools25_src \u4e2d camke \u4e0b\u5c5e\u7684 CudaConfig.cmake \u5199\u660e\u4e86\u4f7f\u7528 CUDA \u7684\u7248\u672c\u89c4\u5b9a\uff1a<\/p>\n<p><img decoding=\"async\" src=\"https:\/\/www.wsisp.com\/helps\/wp-content\/uploads\/2026\/01\/20260130234117-697d419d02089.png\" alt=\"\u5728\u8fd9\u91cc\u63d2\u5165\u56fe\u7247\u63cf\u8ff0\"><\/p>\n<p><img decoding=\"async\" src=\"https:\/\/www.wsisp.com\/helps\/wp-content\/uploads\/2026\/01\/20260130234117-697d419d5b89c.png\" alt=\"\u5728\u8fd9\u91cc\u63d2\u5165\u56fe\u7247\u63cf\u8ff0\"><\/p>\n<p><img decoding=\"async\" src=\"https:\/\/www.wsisp.com\/helps\/wp-content\/uploads\/2026\/01\/20260130234118-697d419e088af.png\" alt=\"\u5728\u8fd9\u91cc\u63d2\u5165\u56fe\u7247\u63cf\u8ff0\"> \u6839\u636e\u4e0a\u8ff0\u7684\u6587\u4ef6\u53ef\u4ee5\u770b\u51fa 50 \u7cfb\u5217\u7684 Nvidia \u663e\u5361\u9700\u8981\u7684 CUDA \u4e3a 12.8 \u7248\u672c<\/p>\n<p>\u518d\u6839\u636e nvidia-smi \u53ef\u77e5\uff0c\u5f53\u524d\u652f\u6301\u7684 CUDA \u6700\u9ad8\u7248\u672c\u4e3a 13.0\uff0c\u672c\u6587\u9009\u62e9\u4e0b\u8f7d 12.8 \u7248\u672c\u7684 CUDA<\/p>\n<p>\u5728 NVIDIA \u5b98\u7f51\u9009\u62e9 12.8.1 \u7248\u672c\uff1a<\/p>\n<p><img decoding=\"async\" src=\"https:\/\/www.wsisp.com\/helps\/wp-content\/uploads\/2026\/01\/20260130234118-697d419eb8a62.png\" alt=\"\u5728\u8fd9\u91cc\u63d2\u5165\u56fe\u7247\u63cf\u8ff0\"><\/p>\n<p>\u6839\u636e\u4e0b\u9762\u56fe\u7247\u8fdb\u884c\u9009\u62e9\uff1a<\/p>\n<p><img decoding=\"async\" src=\"https:\/\/www.wsisp.com\/helps\/wp-content\/uploads\/2026\/01\/20260130234119-697d419fac2b5.png\" alt=\"\u5728\u8fd9\u91cc\u63d2\u5165\u56fe\u7247\u63cf\u8ff0\"><\/p>\n<p>\u5728\u7ec8\u7aef\u8f93\u5165\u4ee5\u4e0b\u4ee3\u7801\u4e0b\u8f7d CUDA 12.8.1 \u7684\u5b89\u88c5\u5305\uff1a<\/p>\n<p><span class=\"token function\">wget<\/span> https:\/\/developer.download.nvidia.com\/compute\/cuda\/12.8.1\/local_installers\/cuda_12.8.1_570.124.06_linux.run<\/p>\n<p>\u5728\u7ec8\u7aef\u8f93\u5165\u4ee5\u4e0b\u4ee3\u7801\u5b89\u88c5\uff1a<\/p>\n<p><span class=\"token comment\"># \u672c\u6761\u547d\u4ee4\u8bf7\u5728 root \u7528\u6237\u4e0b\u8fd0\u884c<\/span><br \/>\n<span class=\"token function\">sudo<\/span> <span class=\"token function\">sh<\/span> cuda_12.8.1_570.124.06_linux.run<\/p>\n<p>\u56e0\u4e3a\u524d\u9762\u5b89\u88c5\u8fc7\u4e86 NVIDIA \u9a71\u52a8\uff0c\u6240\u4ee5\u9009\u62e9 Continue<\/p>\n<p><img decoding=\"async\" src=\"https:\/\/www.wsisp.com\/helps\/wp-content\/uploads\/2026\/01\/20260130234120-697d41a08ec2e.png\" alt=\"\u5728\u8fd9\u91cc\u63d2\u5165\u56fe\u7247\u63cf\u8ff0\"><\/p>\n<p>\u8f93\u5165 accept \u7ee7\u7eed\uff1a<\/p>\n<p><img decoding=\"async\" src=\"https:\/\/www.wsisp.com\/helps\/wp-content\/uploads\/2026\/01\/20260130234121-697d41a13de2d.png\" alt=\"\u5728\u8fd9\u91cc\u63d2\u5165\u56fe\u7247\u63cf\u8ff0\"><\/p>\n<p>\u56e0\u4e3a\u4e4b\u524d\u5b89\u88c5\u8fc7\u4e86 NVIDIA \u9a71\u52a8\uff0c\u6240\u4ee5\u53d6\u6d88\u9009\u62e9 Driver (\u7a7a\u683c\u53d6\u6d88\u9009\u62e9)\uff0c\u7136\u540e\u9009\u62e9 Install \u5b89\u88c5\uff1a<\/p>\n<p><img decoding=\"async\" src=\"https:\/\/www.wsisp.com\/helps\/wp-content\/uploads\/2026\/01\/20260130234121-697d41a1f35d0.png\" alt=\"\u5728\u8fd9\u91cc\u63d2\u5165\u56fe\u7247\u63cf\u8ff0\"><\/p>\n<p>\u5b89\u88c5\u5b8c\u6210\u540e\u63a5\u4e0b\u6765\u5728\u7ec8\u7aef\u8f93\u5165\u4ee5\u4e0b\u4ee3\u7801\u914d\u7f6e\u73af\u5883\u53d8\u91cf\uff1a<\/p>\n<p><span class=\"token function\">vim<\/span> ~\/.bashrc<\/p>\n<p>\u5c06\u4e0b\u9762\u7684\u4ee3\u7801\u52a0\u5728 .bashrc \u6587\u4ef6\u7684\u672b\u5c3e\uff1a<\/p>\n<p><span class=\"token comment\"># CUDA<\/span><\/p>\n","protected":false},"excerpt":{"rendered":"<p>[\u8f6f\u4ef6\u5b89\u88c5] Amber24 + AmberTools25 \u7684\u6784\u5efa\u3001\u7f16\u8bd1\u4e0e\u5b89\u88c5 \u4e00\u3001\u4e0b\u8f7d Amber24 \u548c AmberTools25 \u7684\u6e90\u7801\u5305\u5e76\u89e3\u538b 1.1 \u4e0b\u8f7d\u6e90\u7801\u5305 1.2 \u89e3\u538b\u4e4b\u524d\u7684\u68c0\u67e5 1.3 \u89e3\u538b\u6e90\u7801\u5305 \u4e8c\u3001\u4e0b\u8f7d\u524d\u7f6e\u8f6f\u4ef6 2.1 \u5b89\u88c5 NVIDIA \u9a71\u52a8 2.2 \u5b89\u88c5 CUDA Toolkit 2.3 \u5b89\u88c5 Anaconda3 \u8f6f\u4ef6 \u4e09\u3001Amber24 \u548c AmberTools25 \u7684\u524d\u7f6e\u5de5\u4f5c 3.1 \u5b89\u88c5 Amber24 \u548c AmberTools25 \u5fc5\u8981\u7684\u5305 <\/p>\n","protected":false},"author":2,"featured_media":69147,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[1],"tags":[88,123],"topic":[],"class_list":["post-69162","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-server","tag-conda","tag-123"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v20.3 - https:\/\/yoast.com\/wordpress\/plugins\/seo\/ -->\n<title>\u3010\u8f6f\u4ef6\u5b89\u88c5\u3011NVIDIA 5080 Ubuntu \u670d\u52a1\u5668\u7684 Amber24 + AmberTools25 \u7684\u6784\u5efa\u3001\u7f16\u8bd1\u4e0e\u5b89\u88c5 - \u7f51\u7855\u4e92\u8054\u5e2e\u52a9\u4e2d\u5fc3<\/title>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"https:\/\/www.wsisp.com\/helps\/69162.html\" \/>\n<meta property=\"og:locale\" content=\"zh_CN\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"\u3010\u8f6f\u4ef6\u5b89\u88c5\u3011NVIDIA 5080 Ubuntu \u670d\u52a1\u5668\u7684 Amber24 + AmberTools25 \u7684\u6784\u5efa\u3001\u7f16\u8bd1\u4e0e\u5b89\u88c5 - \u7f51\u7855\u4e92\u8054\u5e2e\u52a9\u4e2d\u5fc3\" \/>\n<meta property=\"og:description\" content=\"[\u8f6f\u4ef6\u5b89\u88c5] Amber24 + AmberTools25 \u7684\u6784\u5efa\u3001\u7f16\u8bd1\u4e0e\u5b89\u88c5 \u4e00\u3001\u4e0b\u8f7d Amber24 \u548c AmberTools25 \u7684\u6e90\u7801\u5305\u5e76\u89e3\u538b 1.1 \u4e0b\u8f7d\u6e90\u7801\u5305 1.2 \u89e3\u538b\u4e4b\u524d\u7684\u68c0\u67e5 1.3 \u89e3\u538b\u6e90\u7801\u5305 \u4e8c\u3001\u4e0b\u8f7d\u524d\u7f6e\u8f6f\u4ef6 2.1 \u5b89\u88c5 NVIDIA \u9a71\u52a8 2.2 \u5b89\u88c5 CUDA Toolkit 2.3 \u5b89\u88c5 Anaconda3 \u8f6f\u4ef6 \u4e09\u3001Amber24 \u548c AmberTools25 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