serious intel compilation problems...

[James A.J. Fitzpatrick]

Dear Prof Knowles/Prof Werner,

I am currently using ifc 6.0 to complie MOLPRO 2002.4 and have three 
problems...

1. The base distribution complies and links OK if no system BLAS 
routines are used, won't link if they are, even if the ATLAS, BLAS, 
LAPACK etc libs are complied with ifc 6.0.

2. When trying to compile using the develop makefile in a test directory 
I get a whole host of errors of the type,

make[1]: Entering directory `/usr/local/molpro2002.4/develop'
ld: Warning: size of symbol `wermit_' changed from 224 to 360 in 
../lib/libmolpro.a(kraft.o)
ld: Warning: size of symbol `hermit_' changed from 224 to 360 in 
../lib/libmolpro.a(kraft.o)
ld: Warning: size of symbol `cvectr_' changed from 16 to 16008 in 
../lib/libmolpro.a(driver.o)
../lib/libmolpro.a(basis_3idx_batchc.o): In function `basis_3idx_batchc_':
basis_3idx_batchc.o(.text+0x0): multiple definition of `basis_3idx_batchc_'
../lib/libmolpro.a(basis_3idx_batchc.o)(.text+0x0): first defined here
../lib/libmolpro.a(basis_3idx_batchc.o): In function `basis_3idx_count_':
basis_3idx_batchc.o(.text+0x1ff0): multiple definition of 
`basis_3idx_count_'
../lib/libmolpro.a(basis_3idx_batchc.o)(.text+0x1ff0): first defined here
../lib/libmolpro.a(basis_3idx_batch.o): In function `basis_3idx_batch_':
basis_3idx_batch.o(.text+0x0): multiple definition of 
`basis_3idx_batch_'Comment 15 at (57:base/src/common/czmat) : This 
feature is obsolescent in Fortran 95

       character*3   zsymel,zsymelr
                ^
Comment 15 at (58:base/src/common/czmat) : This feature is obsolescent 
in Fortran 95

../lib/libmolpro.a(basis_3idx_batch.o)(.text+0x0): first defined here
../lib/libmolpro.a(basis_3idx_mem.o): In function `basis_3idx_mem_':
basis_3idx_mem.o(.text+0x0): multiple definition of `basis_3idx_mem_'
../lib/libmolpro.a(basis_3idx_mem.o)(.text+0x0): first defined here
../lib/libmolpro.a(basis_3idx.o): In function `basis_3idx_':
basis_3idx.o(.text+0x0): multiple definition of `basis_3idx_'
../lib/libmolpro.a(basis_3idx.o)(.text+0x0): first defined here
../lib/libmolpro.a(basis_aoinfo.o): In function `basis_aogrp_info_':
basis_aoinfo.o(.text+0x0): multiple definition of `basis_aogrp_info_'
../lib/libmolpro.a(basis_aoinfo.o)(.text+0x0): first defined here
ld: Warning: size of symbol `basis_aogrp_info_' changed from 2784 to 
2080 in ../lib/libmolpro.a(basis_aoinfo.o)

etc etc etc.....

which go away if SHAREDLIB=1 is hased out of the makefile after the ifc 
versions.

3. ifc is a fortran95 compiler and complains about the use of 
non-standard fortran 95, to my knowledge, the flag -w95 tells the 
compiler to ignore any non-standard fortran 95 but trying -w95 in FFLAGS 
returns the result,

Comment 15 at (23:base/src/common/tapes) : This feature is obsolescent 
in Fortran 95

       character*4 atname
                ^
Comment 15 at (15:base/src/common/cgeom) : This feature is obsolescent 
in Fortran 95

       character*32  zsymbol,ztag,zvarsym
                ^

Any help is really appreciated as I am severly stuck at the moment.

Many thanks in advance,
James.
-- 
James A.J. Fitzpatrick
Laser Chemistry and Dynamics Group
School of Chemistry, Cantock's Close, Bristol BS8 1TS, UK.
Telephone (Office) : +44 117 928 9938,
Telephone (Lab)    : +44 117 928 8187
Fax : +44 117 925 0612

E-mail : j.fitzpatrick at bris.ac.uk
Web    : http://www.chm.bris.ac.uk/~chjajf