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<LI><A NAME="tex2html413"
HREF="node20.html#SECTION00061010000000000000">5.1.0.1 xlc compiler</A>
<LI><A NAME="tex2html414"
HREF="node20.html#SECTION00061020000000000000">5.1.0.2 Calling C from fortran</A>
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<H2><A NAME="SECTION00061000000000000000">
5.1 Compilation problems with <TT>PLUMED</TT></A>
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<H4><A NAME="SECTION00061010000000000000">
5.1.0.1 xlc compiler</A>
</H4>
If you get an error message like:
<PRE>
Operation between types "char**" and "int" is not allowed.
</PRE>
change in file <TT>clib/metadyn.h</TT>
<PRE>
#define snew(ptr,nelem) (ptr)= (nelem==0 ? NULL : (typeof(ptr)) calloc(nelem, sizeof(*(ptr))))
#define srenew(ptr,nelem) (ptr)= (typeof(ptr)) realloc(ptr,(nelem)*sizeof(*(ptr)))
</PRE>
with
<PRE>
#define snew(ptr,nelem) (ptr)= (nelem==0 ? NULL : (void*) calloc(nelem, sizeof(*(ptr))))
#define srenew(ptr,nelem) (ptr)= (void*) realloc(ptr,(nelem)*sizeof(*(ptr)))
</PRE>
<P>
<H4><A NAME="SECTION00061020000000000000">
5.1.0.2 Calling C from fortran</A>
</H4>
PLUMED assumes that fortran compilers add a single <TT>_</TT> at the end of C routines. You
may get an error message as :
<PRE>
ERROR: Undefined symbol: .init_metadyn
ERROR: Undefined symbol: .meta_force_calculation
</PRE>
eliminate the <TT>_</TT> from the definition of init_metadyn and meta_force_calculation, i. e.
change at line 529
<PRE>
void meta_force_calculation_(real *cell, int *istep, real *xxx, real *yyy, real *zzz,
</PRE>
with
<PRE>
void meta_force_calculation(real *cell, int *istep, real *xxx, real *yyy, real *zzz,
</PRE>,
and at line 961
<PRE>
void init_metadyn_(int *atoms, real *ddt, real *mass,
void init_metadyn_(int *atoms, real *ddt, real *mass,
</PRE>
<P>
<BR><HR>
<ADDRESS>
paolo giannozzi
2014-05-28
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