[CPMD-list] more compilation troubles ;-)

[Christian Tuma]

Hello,

I guess you have to include the Intel svml-library when when optimising
for Pentium4-systems.
Simply add "-lsvml" in the linker line of your makefile.

Good luck,
Christian.

On Tue, Feb 03, 2004 at 03:57:07PM +0100, "Xevi Biarnés (PCB')" wrote:
> Dear CPMD users,
> 
> I am trying to compile CPMD v.3.7.2 on a Pentium IV under Linux 
> (Mandrake 8.2) using IFC (v.8.0)
> 
> 
> I had to install ATLAS libraries (v.3.4.2) (wich include lapack & blas)
> 
> but I also installed LAPACK ones (v.3.0) in order to combine them with 
> ATLAS (because not all functions in LAPACK are included in ATLAS, is it 
> right?)
> 
> The compilation is right until the linkage with libraries.
> 
> The problem is that some functions are not found in those libraries
> 
> I decided to download ATLAS libraries already compiled from Axel 
> Kohlmeyer web page.
> 
> Doing so, some of the functions that were not found, now they are 
> (why?). But there are still some functions wich are not found.
> 
> An example of the error that I get is:
> 
> 
> freqs.o: In function `freqs_':
> freqs.o(.text+0xe03): undefined reference to `vmldCos2'
> freqs.o(.text+0xe35): undefined reference to `vmldSin2'
> freqs.o(.text+0xeb1): undefined reference to `vmldTan2'
> updrho.o: In function `updrho_':
> updrho.o(.text+0x13a6): undefined reference to `vmldLn2'
> updrho.o(.text+0x2940): undefined reference to `vmldExp2'
> 
> And so on...
> 
> The peculiarity is that all the functions that are not found begin with: 
> 'vmld'  (am I missing any library?)
> 
> 
> I also tried to compile using intel MKL libraries, but I did not 
> succeed... :-(
> (same error, diferent functions)
> 
> 
> I would be very grateful if someone could help me with all this mess...
> 
> Thank you very much for reading this.
> 
> 
> Xevi  =o)
> 
> 
> an abstract of the Makefile I am using is:
> 
> #
> SHELL = /bin/sh
> #
> #--------------- Default Configuration for PC-IFC ---------------
> SRC  = .
> DEST = .
> BIN  = .
> #QMMM_FLAGS = -D__QMECHCOUPL
> #QMMM_LIBS  = -L. -lmm
> FFLAGS = -c -r8 -w90 -w95 -O3 -pc64 -axM -ip -tpp7
> LFLAGS = -L/usr/local/lib/cpmd -latlas -L/usr/local/lib/cpmd -llapack 
> -L/usr/local/lib/cpmd -lf77blas -Vaxlib $(QMMM_LIBS)
> CFLAGS = -c -O2 -Wall
> CPP = /lib/cpp -P -C -traditional
> CPPFLAGS = -D__Linux -D__PGI -DLAPACK -DFFT_DEFAULT -DLINUX_IFC
> NOOPT_FLAG =
> CC = gcc
> FC = ifort
> LD = ifort
> AR =
> #----------------------------------------------------------------------------
> 
> 
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-- 
Christian Tuma             Humboldt-Universitaet Berlin
ct at chemie.hu-berlin.de     Arbeitsgruppe Quantenchemie (Prof. Sauer)
phone: +49-30-20937140     Brook-Taylor-Str. 2, 12489 Berlin, GERMANY
fax:   +49-30-20937136     http://www.chemie.hu-berlin.de/ag_sauer