Differences

This shows you the differences between two versions of the page.

--- cluster:213 [2022/07/25 13:19]
hmeij07 [Amber20]
+++ cluster:213 [2022/07/25 15:10]
hmeij07 [Amber22]
@@ Line 266: / Line 266: @@
 <code>
+# First **all the necessary packages ** (yum install...)
   tar xvfj ../AmberTools21.tar.bz2
@@ Line 339: / Line 341: @@
 <code>
+# First **all the necessary packages ** (yum install...)
   tar xvfj ../AmberTools22.tar.bz2
@@ Line 355: / Line 359: @@
     -DDOWNLOAD_MINICONDA=TRUE \
 >&1 | tee  cmake.log
+./run_cmake
+make install
+# Note !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
+The OpenMPI and MPICH system installations provided by CentOS
+(i.e., through yum install)
+are known to be somehow incompatible with Amber22.
+# OUCH !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
+# GO TO node n100
+# copy head node's amber22_src/ to n100:/usr/local/src/tmp/
+# install latest openmpi version
+cd amber_src/Ambertools/src
+tar xvfj ../../../../openmpi-4.1.4.tar.bz2
@@ Line 407: / Line 433: @@
 </code>
-**[[cluster:0|Back]]**
 **[[cluster:0|Back]]**

DokuWiki