Dear all,
I followed amberonmac.blogspot.com instructions for building AT 1.5
The only hiccups were as follows:
At the end of the make:
+++++++++++++++++++++++++++
.
.
.
(cd mmpbsa_py && make install)
/bin/bash setup.sh
AMBERHOME is not set. Assuming it is /opt/amber11/AmberTools
Using AmberTools' python
Error importing MMPBSA python modules! MMPBSA.py will not work.
make[1]: *** [install] Error 1
make: *** [serial] Error 2
++++++++++++++++++++++++++++
Yet the $AMBERHOME was already, and should have been set to /opt/amber11,
correct?
(but the above warning says $AMBERHOME should be /opt/amber11/Ambertools,
is that a mistake?)
Also,
During tests:
Several messages as follows, other than that, no fails,:
++++++++++++++++++++++++++++++
.
.
.
.
Running test to do simple minimization
(this tests the molecular mechanics interface)
ld: warning: alignment lost in merging tentative definition _tconjgrad
ld: warning: alignment lost in merging tentative definition _tconjgradMME
ld: warning: alignment lost in merging tentative definition _tconjgradOther
ld: warning: alignment lost in merging tentative definition _tgb2
ld: warning: alignment lost in merging tentative definition _tgb2Other
ld: warning: alignment lost in merging tentative definition _tgb2dgemm1
ld: warning: alignment lost in merging tentative definition _tgb2dgemm2
ld: warning: alignment lost in merging tentative definition _tgb2dgemm3
ld: warning: alignment lost in merging tentative definition _tinit
ld: warning: alignment lost in merging tentative definition _tmd
ld: warning: alignment lost in merging tentative definition _tmdIO
ld: warning: alignment lost in merging tentative definition _tmdOther
ld: warning: alignment lost in merging tentative definition _tmme
ld: warning: alignment lost in merging tentative definition _tmme2
ld: warning: alignment lost in merging tentative definition _tmme2Angl
ld: warning: alignment lost in merging tentative definition _tmme2Bond
ld: warning: alignment lost in merging tentative definition _tmme2Born
ld: warning: alignment lost in merging tentative definition _tmme2Cons
ld: warning: alignment lost in merging tentative definition _tmme2Nonb
ld: warning: alignment lost in merging tentative definition _tmme2Other
ld: warning: alignment lost in merging tentative definition _tmme2Pair
ld: warning: alignment lost in merging tentative definition _tmme2Phi
ld: warning: alignment lost in merging tentative definition _tmmeAngl
ld: warning: alignment lost in merging tentative definition _tmmeBond
ld: warning: alignment lost in merging tentative definition _tmmeBorn
ld: warning: alignment lost in merging tentative definition _tmmeCons
ld: warning: alignment lost in merging tentative definition _tmmeNonb
ld: warning: alignment lost in merging tentative definition _tmmeOther
ld: warning: alignment lost in merging tentative definition _tmmePB
ld: warning: alignment lost in merging tentative definition _tmmePair
ld: warning: alignment lost in merging tentative definition _tmmePhi
ld: warning: alignment lost in merging tentative definition _tmmeRism
ld: warning: alignment lost in merging tentative definition _tnewton
ld: warning: alignment lost in merging tentative definition
_tnewtonCholesky
ld: warning: alignment lost in merging tentative definition _tnewtonDSYEV
ld: warning: alignment lost in merging tentative definition _tnewtonLevel
ld: warning: alignment lost in merging tentative definition _tnewtonMME
ld: warning: alignment lost in merging tentative definition _tnewtonMME2
ld: warning: alignment lost in merging tentative definition _tnewtonOther
ld: warning: alignment lost in merging tentative definition _tnmode
ld: warning: alignment lost in merging tentative definition _tnmodeAmat
ld: warning: alignment lost in merging tentative definition _tnmodeDSYEV
ld: warning: alignment lost in merging tentative definition _tnmodeDSYEVD
ld: warning: alignment lost in merging tentative definition _tnmodeDiagA
ld: warning: alignment lost in merging tentative definition _tnmodeEigenvec
ld: warning: alignment lost in merging tentative definition _tnmodeFact
ld: warning: alignment lost in merging tentative definition _tnmodeHessian
ld: warning: alignment lost in merging tentative definition _tnmodeInvdiag
ld: warning: alignment lost in merging tentative definition _tnmodeLan
ld: warning: alignment lost in merging tentative definition _tnmodeNorm
ld: warning: alignment lost in merging tentative definition _tnmodeOther
ld: warning: alignment lost in merging tentative definition _tnmodeSort
ld: warning: alignment lost in merging tentative definition _treduceegb
ld: warning: alignment lost in merging tentative definition _treducemme
diffing ltest.out.check with ltest.out
PASSED
.
.
.
+++++++++++++++++++++++
Just want to know if these are things to worry about.
Thanks!!!
Dean--
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Received on Sun Apr 24 2011 - 21:30:12 PDT
