[ESPResSo-users] Question about the two compilation methods given in the manual

[Kai Yang]

Hi,

 

I am studying Espresso. I find that if I directly compile ESPResSo according to the method given in chapter 2 (Quick installation, page 14 of version 3.1.0-33-g7066272, April 2, 2012 ) of the manual, namely, I execute the steps ( ./configure, make) in the directory where I unpacked the sources, the code_info given by Espresso is as follows:

> code_info

ESPResSo-3.1.0

{ Compilation status { FFTW } { CONSTRAINTS } { COMFIXED } { NPT } { COMFORCE } { PARTIAL_PERIODIC } { LENNARD_JONES } { EXTERNAL_FORCES } { TABULATED } { BUCKINGHAM } { SOFT_SPHERE } { LJCOS } { LENNARD_JONES_GENERIC } { MASS } { BOND_ANGLE_COSINE } { ELECTROSTATICS } { LJCOS2 } { MPI_CORE } { MORSE } { FORCE_CORE } { EXCLUSIONS } }

> 

However, if I compile ESPResSo according to the method described in chapter 3 (Page 26), namely, Espresso is unpacked to the directory: $srcdir and  then I configure and make Espresso in the build directory: $builddir (without adding my own myconfig.h file), the code_info given by Espresso at this time is:

 

> code_info

ESPResSo-3.1.0

{ Compilation status { FFTW } { CONSTRAINTS } { ROTATIONAL_INERTIA } { BOND_ENDANGLEDIST_HARMONIC } { GAY_BERNE } { BOND_ENDANGLEDIST } { COMFIXED } { INTER_RF } { NPT } { COMFORCE } { LB_BOUNDARIES } { HERTZIAN } { BOND_ANGLEDIST_HARMONIC } { PARTIAL_PERIODIC } { LENNARD_JONES } { LJ_ANGLE } { OVERLAPPED } { MOLFORCES } { BMHTF_NACL } { MODES } { EXTERNAL_FORCES } { TABULATED } { BUCKINGHAM } { LANGEVIN_PER_PARTICLE } { SOFT_SPHERE } { LJCOS } { LENNARD_JONES_GENERIC } { MASS } { SMOOTH_STEP } { BOND_ANGLE_COSINE } { VIRTUAL_SITES_RELATIVE } { ELECTROSTATICS } { LJCOS2 } { BOND_ANGLEDIST } { LB } { BOND_VIRTUAL } { NEMD } { LB_ELECTROHYDRODYNAMICS } { MORSE } { DIPOLES } { ROTATION } { COLLISION_DETECTION } { EXCLUSIONS } }

> 

 

The information given by two methods is different! Why does this difference produce? Will the compile methods influence the simulation results? or Which compile methods should I choose?

 

Can someone help me? Thanks in advance!

 

Best Regards

 

Kai Yang

 

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Kai Yang