Rana
The following changes to the header files in $NWCHEM_TOP/src/drdy might fix your problem
(i.e. changes of natoms and natomz from 40 to 50).
~/nwchem/src/drdy$ svn diff nwc_drdyP.fh drdyP.fh
Index: nwc_drdyP.fh
===================================================================
--- nwc_drdyP.fh (revision 26025)
+++ nwc_drdyP.fh (working copy)
@@ -15,7 +15,7 @@
Parameter (master = 0)
*
Integer natomz
- Parameter (natomz = 40) ! same as in drdyP.fh
+ Parameter (natomz = 50) ! same as in drdyP.fh
Double Precision atomic_charge, copy_charge
Double Precision nwcmass
Character*16 atomic_labels, copy_labels
Index: drdyP.fh
===================================================================
--- drdyP.fh (revision 26025)
+++ drdyP.fh (working copy)
@@ -11,7 +11,7 @@
Parameter (sprod = +1.111d10)
C
Integer natoms,n3tm,n3tmp,nbardm,nsmax,fu6,fu30
- Parameter (natoms=40)
+ Parameter (natoms=50)
Parameter (n3tm=3*natoms,n3tmp=3*natoms+1)
Parameter (nbardm=(n3tm*(n3tm+1))/2)
Parameter (nsmax=100)
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