update use_elpa=0 for abacus-gcc & abacus-intel file

MCresearch · Nov 26, 2023 · 129b1ee · 129b1ee
1 parent 65eda4f
commit 129b1ee
Show file tree

Hide file tree

Showing 55 changed files with 148 additions and 126 deletions.
diff --git a/SUMMARY.md b/SUMMARY.md
@@ -1,4 +1,4 @@
-# Table of contents
+# Summary
 
 * [ABACUS 使用教程](README.md)
     * [GCC 编译 ABACUS 教程](abacus-gcc.md)
@@ -28,28 +28,29 @@
     * [ABACUS+Hefei NAMD 使用教程](abacus-namd.md)
     * [ABACUS+Wannier90 使用教程](abacus-wannier.md)
 * ABACUS 开发者文档
-  * [ABACUS 开源项目 C++ 代码规范](develop-C++.md)
-  * [ABACUS 中使用格式化工具 clang-format](develop-format.md)
-  * [ABACUS 注释规范：Doxygen 入门 (c++)](develop-dox.md)
-  * [ABACUS 的 Github 仓库 Issues 处理流程](develop-issue.md)
-  * [ABACUS 线上文档输入参数撰写规范](develop-input.md)
-  * [ABACUS 代码存放规范](develop-rule.md)
-  * [ABACUS 全局数据结构和代码行数检测](develop-linedete.md)
-  * [Introduction to ABACUS: Path to PW calculation - Part 1](develop-path1.md)
-  * [Introduction to ABACUS: Path to PW calculation - Part 2](develop-path2.md)
-  * [Introduction to ABACUS: Path to PW calculation - Part 3](develop-path3.md)
-  * [Introduction to ABACUS: Path to PW calculation - Part 4](develop-path4.md)
-  * [Introduction to ABACUS: Path to PW calculation - Part 5](develop-path5.md)
-  * [Introduction to ABACUS: Path to PW calculation - Summary 1](develop-sm1.md)
-  * [Introduction to ABACUS: Path to PW calculation - Part 6](develop-path6.md)
-  * [Introduction to ABACUS: Path to PW calculation - Part 7](develop-path7.md)
-  * [Introduction to ABACUS: Path to PW calculation - Part 8](develop-path8.md)
-  * [Introduction to ABACUS: Path to PW calculation - Part 9](develop-path9.md)
-  * [Introduction to ABACUS: Path to PW calculation - Part 10](develop-path10.md)
-  * [Introduction to ABACUS: Path to PW calculation - Part 11](develop-path11.md)
-  * [Introduction to ABACUS: Path to PW calculation - Summary Final](develop-sm2.md)
+    * [ABACUS 开源项目 C++ 代码规范](develop-C++.md)
+    * [ABACUS 中使用格式化工具 clang-format](develop-format.md)
+    * [ABACUS 注释规范：Doxygen 入门 (c++)](develop-dox.md)
+    * [ABACUS 的 Github 仓库 Issues 处理流程](develop-issue.md)
+    * [ABACUS 线上文档输入参数撰写规范](develop-input.md)
+    * [ABACUS 代码存放规范](develop-rule.md)
+    * [ABACUS 全局数据结构和代码行数检测](develop-linedete.md)
+    * [Introduction to ABACUS: Path to PW calculation - Part 1](develop-path1.md)
+    * [Introduction to ABACUS: Path to PW calculation - Part 2](develop-path2.md)
+    * [Introduction to ABACUS: Path to PW calculation - Part 3](develop-path3.md)
+    * [Introduction to ABACUS: Path to PW calculation - Part 4](develop-path4.md)
+    * [Introduction to ABACUS: Path to PW calculation - Part 5](develop-path5.md)
+    * [Introduction to ABACUS: Path to PW calculation - Summary 1](develop-sm1.md)
+    * [Introduction to ABACUS: Path to PW calculation - Part 6](develop-path6.md)
+    * [Introduction to ABACUS: Path to PW calculation - Part 7](develop-path7.md)
+    * [Introduction to ABACUS: Path to PW calculation - Part 8](develop-path8.md)
+    * [Introduction to ABACUS: Path to PW calculation - Part 9](develop-path9.md)
+    * [Introduction to ABACUS: Path to PW calculation - Part 10](develop-path10.md)
+    * [Introduction to ABACUS: Path to PW calculation - Part 11](develop-path11.md)
+    * [Introduction to ABACUS: Path to PW calculation - Summary Final](develop-sm2.md)
 * 算法文档
-  * [最大局域化 Wannier 函数方法简介](algorithm-wannier.md)
-  * [电荷密度混合算法介绍](algorithm-mix.md)
+    * [最大局域化 Wannier 函数方法简介](algorithm-wannier.md)
+    * [电荷密度混合算法介绍](algorithm-mix.md)
 * [ABACUS 新闻稿整理](news.md)
 * [如何贡献 ABACUS 使用教程](contribute.md)
+
diff --git a/_book/abacus-candela.html b/_book/abacus-candela.html
diff --git a/_book/abacus-dcu.html b/_book/abacus-dcu.html
diff --git a/_book/abacus-dpgen.html b/_book/abacus-dpgen.html
diff --git a/_book/abacus-gcc.html b/_book/abacus-gcc.html
diff --git a/_book/abacus-hpc.html b/_book/abacus-hpc.html
diff --git a/_book/abacus-intel.html b/_book/abacus-intel.html
diff --git a/_book/abacus-libri.html b/_book/abacus-libri.html
diff --git a/_book/abacus-md.html b/_book/abacus-md.html
diff --git a/_book/abacus-nac1.html b/_book/abacus-nac1.html
diff --git a/_book/abacus-nac2.html b/_book/abacus-nac2.html
diff --git a/_book/abacus-nac3.html b/_book/abacus-nac3.html
diff --git a/_book/abacus-namd.html b/_book/abacus-namd.html
diff --git a/_book/abacus-ofdft.html b/_book/abacus-ofdft.html
diff --git a/_book/abacus-phonopy.html b/_book/abacus-phonopy.html
diff --git a/_book/abacus-sdft.html b/_book/abacus-sdft.html
diff --git a/_book/abacus-shengbte.html b/_book/abacus-shengbte.html
diff --git a/_book/abacus-sol.html b/_book/abacus-sol.html
diff --git a/_book/abacus-surface1.html b/_book/abacus-surface1.html
diff --git a/_book/abacus-surface2.html b/_book/abacus-surface2.html
diff --git a/_book/abacus-surface3.html b/_book/abacus-surface3.html
diff --git a/_book/abacus-surface4.html b/_book/abacus-surface4.html
diff --git a/_book/abacus-surface5.html b/_book/abacus-surface5.html
diff --git a/_book/abacus-surface6.html b/_book/abacus-surface6.html
diff --git a/_book/abacus-upf.html b/_book/abacus-upf.html
diff --git a/_book/abacus-uspex.html b/_book/abacus-uspex.html
diff --git a/_book/abacus-wannier.html b/_book/abacus-wannier.html
diff --git a/_book/algorithm-mix.html b/_book/algorithm-mix.html
diff --git a/_book/algorithm-wannier.html b/_book/algorithm-wannier.html
diff --git a/_book/contribute.html b/_book/contribute.html
diff --git a/_book/develop-C++.html b/_book/develop-C++.html
diff --git a/_book/develop-dox.html b/_book/develop-dox.html
diff --git a/_book/develop-format.html b/_book/develop-format.html
diff --git a/_book/develop-input.html b/_book/develop-input.html
diff --git a/_book/develop-issue.html b/_book/develop-issue.html
diff --git a/_book/develop-linedete.html b/_book/develop-linedete.html
diff --git a/_book/develop-path1.html b/_book/develop-path1.html
diff --git a/_book/develop-path10.html b/_book/develop-path10.html
diff --git a/_book/develop-path11.html b/_book/develop-path11.html
diff --git a/_book/develop-path2.html b/_book/develop-path2.html
diff --git a/_book/develop-path3.html b/_book/develop-path3.html
diff --git a/_book/develop-path4.html b/_book/develop-path4.html
diff --git a/_book/develop-path5.html b/_book/develop-path5.html
diff --git a/_book/develop-path6.html b/_book/develop-path6.html
diff --git a/_book/develop-path7.html b/_book/develop-path7.html
diff --git a/_book/develop-path8.html b/_book/develop-path8.html
diff --git a/_book/develop-path9.html b/_book/develop-path9.html
diff --git a/_book/develop-rule.html b/_book/develop-rule.html
diff --git a/_book/develop-sm1.html b/_book/develop-sm1.html
diff --git a/_book/develop-sm2.html b/_book/develop-sm2.html
diff --git a/_book/index.html b/_book/index.html
diff --git a/_book/news.html b/_book/news.html
diff --git a/_book/search_plus_index.json b/_book/search_plus_index.json
diff --git a/abacus-gcc.md b/abacus-gcc.md
@@ -28,6 +28,12 @@ ABACUS（原子算筹）软件同时支持两种基矢量，一种是平面波
   - <strong>CEREAL</strong>：CEREAL 是一个 C++ 序列化库，用于将 C++ 对象转换为可存储或传输的数据格式，以及将其反序列化回对象。
   - <strong>ELPA</strong>：ELPA（Eigenvalue SoLvers for Petaflop-Applications）是一个用于高性能计算的开源库，旨在解决大规模高性能计算中的特征值问题，特别是密集矩阵的特征值问题。（用户编译安装 abacus 的时候大多在这里出现问题）
 
+> ELPA仅用于 LCAO基组求解特征值与特征矩阵的过程，如果由于机器等原因导致 ELPA 难以安装，可以暂不安装ELPA，在编译 abacus 的时候添加-DUSE_ELPA=0即可绕过ELPA安装困难的问题。
+> 
+> 在ABACUS中，LCAO基组求解特征值与特征矩阵提供了两种方法，一种是调用ELPA进行求解（默认选项），一种是调用ScaLAPACK进行求解。
+> 
+> 如果使用-DUSE_ELPA=0编译选项，请参考使用文档配置ks_solver为scalapack_gvx，调用ScaLAPACK进行求解。（http://abacus.deepmodeling.com/en/stable/advanced/input_files/input-main.html#ks-solver）
+
 # 二、检查当前服务器基础环境：
 
 ## 1. 查看当前系统版本：

diff --git a/abacus-intel.md b/abacus-intel.md
@@ -36,6 +36,11 @@ Intel® oneAPI HPC Toolkit 相比于 Intel® oneAPI Base Toolkit 多了一些必
 source /opt/intel/oneapi/setvars.sh
 ```
 
+> ELPA仅用于 LCAO基组求解特征值与特征矩阵的过程，如果由于机器等原因导致 ELPA 难以安装，可以暂不安装ELPA，在编译 abacus 的时候添加-DUSE_ELPA=0即可绕过ELPA安装困难的问题。
+> 在ABACUS中，LCAO基组求解特征值与特征矩阵提供了两种方法，一种是调用ELPA进行求解（默认选项），一种是调用ScaLAPACK进行求解。
+> 如果使用-DUSE_ELPA=0编译选项，请参考使用文档配置ks_solver为scalapack_gvx，调用ScaLAPACK进行求解。（http://abacus.deepmodeling.com/en/stable/advanced/input_files/input-main.html#ks-solver）
+
+
 ## 1. 安装 仅支持 PW 基组的 ABACUS
 
 对于仅支持 PW 基组的 ABACUS，我们同时支持两种版本的编译：串行版本和并行版本。