Difference between revisions of "User:Dennisvd@nikhef.nl/VASP"

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Line 12: Line 12:
 
  mkdir build
 
  mkdir build
 
  cd build
 
  cd build
  ../configure --disable-shared --enable-static --prefix=/project/detrd/vasp/openmpi-1.6.5 CC=icc CXX=icpc F77=ifort FC=ifort
+
  ../configure --disable-shared --enable-static --prefix=/project/detrd/vasp/openmpi-1.6.5 --with-tm CC=icc CXX=icpc F77=ifort FC=ifort
 
* Build and  deploy
 
* Build and  deploy
 
  make all
 
  make all
 
  make install
 
  make install
  
 +
The torque-devel package should be installed so integration with the torque batch system will work.
 
The ''shared'' and ''static'' options are to make sure we do not end up with a run-time dependency on the Intel libraries which are not on the worker nodes. Unfortunately this makes the install base of openmpi ''very large'' (�600 MB).
 
The ''shared'' and ''static'' options are to make sure we do not end up with a run-time dependency on the Intel libraries which are not on the worker nodes. Unfortunately this makes the install base of openmpi ''very large'' (�600 MB).
  

Revision as of 12:03, 8 January 2016