Hello,
I had an old version of ambertools installed on my iMac. Decided to
upgrade from 1.4 to 1.5.
Downloaded the new version, applied the patches. Ran "./configure gnu" with
no problem. When I ran
sudo make install it fails for possibly multiple reasons(details following).
One error is that it says AMBERHOME is not set, but if I "echo $AMBERHOME" I
get the correct directory.
Any ideas what could be going wrong?
Thanks in advance!
--Dan
...
fortran -o calcpka calcpka.f90
./py_setup.sh
./py_setup.sh: line 6: dirname/usr/local/amber11: No such file or directory
AMBERHOME is not set. Assuming it is
Using system python
/bin/mv ambpdb elsize molsurf add_pdb resp calcpka /usr/local/amber11/bin
/bin/cp lmodprmtop process_mdout.perl process_minout.perl
/usr/local/amber11/bin
/bin/cp convert_charmm_lipid_builder_pdb_to_amber.x /usr/local/amber11/bin
/bin/cp cpinutil softcore_setup.py extractFrcmod.py /usr/local/amber11/bin
(cd chamber && make install )
make chamber
gfortran -ffree-form -o chamber main.o psfprm.o psf_strings.o
write_prmtop.o gbradii.o sort.o mkexcl.o cmap.o molnt.o \
mv chamber /usr/local/amber11/bin
(cd pbsa && make install )
cpp -traditional -P -DBINTRAJ amg1r5.f > _amg1r5.f
gfortran -c -O3 -mtune=generic -ffree-form -o amg1r5.o _amg1r5.f
_amg1r5.f:1206.16:
ifg,a(jtrst),time,ndjtr,ium,mdjtr)
1
Warning: Type mismatch in argument 'jtr' at (1); passed REAL(8) to
INTEGER(4)
_amg1r5.f:1219.58:
call pcol(k-1,ierr,ia,ja,iw,imin,imax,imaxw,icg,ifg,u(irst), &
1
Warning: Type mismatch in argument 'ir' at (1); passed REAL(8) to INTEGER(4)
_amg1r5.f:1226.26:
imaxw,ifg,icg,u(irst),time,ierr,irow0,ncolx, &
1
Warning: Type mismatch in argument 'ncolor' at (1); passed REAL(8) to
INTEGER(4)
_amg1r5.f:1234.16:
ifg,u(irst),nstcol,ncolx,time,nda,ndja,ium, &
1
Warning: Type mismatch in argument 'ncolor' at (1); passed REAL(8) to
INTEGER(4)
_amg1r5.f:3463.23:
external idec,random
1
Error: Return type mismatch of function 'random' at (1) (REAL(8)/REAL(4))
_amg1r5.f:3031.45:
ja(jlo),a(jlo),f(ilo),u(ilo),nsp,a(jhi+1),a(jhi+1), &
1
Warning: Type mismatch in argument 'isp' at (1); passed REAL(8) to
INTEGER(4)
_amg1r5.f:3097.45:
ja(jlo),a(jlo),f(ilo),u(ilo),nsp,a(jhi+1),a(jhi+1), &
1
Warning: Type mismatch in argument 'isp' at (1); passed REAL(8) to
INTEGER(4)
_amg1r5.f:3621.17:
external cgalf,cgeps,ctime
1
Error: Return type mismatch of function 'cgalf' at (1) (REAL(8)/REAL(4))
_amg1r5.f:3621.23:
external cgalf,cgeps,ctime
1
Error: Return type mismatch of function 'cgeps' at (1) (REAL(8)/REAL(4))
make[1]: *** [amg1r5.o] Error 1
make: *** [serial] Error 2
--
Dr. Daniel J. Sindhikara
Institute for Molecular Science
E-mail: sindhikara.gmail.com
Website: http://sites.google.com/site/dansindhikara/
--
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Received on Mon Jun 20 2011 - 03:30:04 PDT
