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From: | Gao Bin |
Subject: | Re: [Freeon-users] freeon documentation |
Date: | Mon, 30 Apr 2012 16:58:44 +0000 |
Hi, Nick
Thank you for your help. I have solved the problem: (1) The reason I could not configure hdf5-1.8.3 is it requires libtool with version at least 2.2 (line 976 in hdf5-1.8.3/configure.in). I do not know the version of my libtool, I just simply commented this requirement from HDF5. It works :-), but I have encountered some problems when compiling QCTC/Density.f90, which requires Globals module. I thought compiler or automake tools should figure out the dependence of these modules, but they did not on my MacBook. So I manually changed the order of Globals.f90 and Density.f90 in QCTC/Makefile.am. Then I got the executable FreeON. (2) I have also tried freeon-2011-11-03.tar.bz2. It can also be compiled but there is only SinglePoint in Validate, I have to manually remove other entries in configure and Validate/Makefile. Is it a bug in this release? Anyway, I have got FreeON executable in both case, but I am sorry that I have some further problems: (1) When I compiled FreeON from the repository instead of freeon-2011-11-03.tar.bz2, I have got the problem about making "localversion". Since I did not know what it is, I just simply commented it in Makefile.am. But I am not sure what I did is correct or not? (2) In both cases, I have got the problem when I tried to run a simple example H2O.inp in "examples" directory. I have set up some variables in my $HOME/.bash_profile as: export PATH=$PATH:/Users/gaobin/Work/XKjem/freeon/FreeON export MONDO_HOME=/Users/gaobin/Work/XKjem/freeon export MONDO_EXEC=/Users/gaobin/Work/XKjem/freeon/FreeON/FreeON #I am not sure if this is correct? export MONDO_SCRATCH=/tmp Then I ran "FreeON H2O.inp", and it printed something on screen: FreeON : LoadCommand :: env variable $(MONDO_HOME) set to /Users/gaobin/Work/XKjem/freeon FreeON : LoadCommand :: env variable $(MONDO_EXEC) set to /Users/gaobin/Work/XKjem/freeon/FreeON/FreeON FreeON : LoadCommand :: env variable $(MONDO_SCRATCH) set to /tmp FreeON : LoadCommand :: input file H2O.inp FreeON : LoadCommand :: SCF name H2O_73662 ... ... SCF :: doing SCF Invoke :: invoking MakePFFT Invoke : Clump 1 :: /Users/gaobin/Work/XKjem/freeon/FreeON/FreeON/MakePFFT H2O_73662 OneElectronMatrices 0 1 1 0 1 1 /tmp/FreeON-scratch-H2O_73662-6DXNki/ error with execvp: Not a directory Invoke : errorcode = -674034 :: </Users/gaobin/Work/XKjem/freeon/FreeON/FreeON/MakePFFT H2O_73662 OneElectronMatrices 0 1 1 0 1 1 /tmp/FreeON-scratch-H2O_73662-6DXNki/> Invoke : Clump 1 :: MakePFFT H2O_73662 OneElectronMatrices 0 1 1 0 1 1 /tmp/FreeON-scratch-H2O_73662-6DXNki/ error with execvp: No such file or directory Invoke : errorcode = -674034 :: <MakePFFT H2O_73662 OneElectronMatrices 0 1 1 0 1 1 /tmp/FreeON-scratch-H2O_73662-6DXNki/> Invoke :: failed to spawn process This is fatal GOING DOWN GOING DOWN GOING DOWN GOING DOWN GOING DOWN <<This is fatal>> GOING DOWN GOING DOWN GOING DOWN GOING DOWN GOING DOWN Abort trap I noticed the error is due to some checks in FreeON/Spawn.c (error with execvp), but I do not how to solve it. I have also enclosed the output file in the attachment. Could anyone please help me? Thank you in advance. Cheers Gao From: Nicolas Bock address@hidden
Sent: Friday, April 27, 2012 7:30 PM To: Gao Bin Cc: address@hidden Subject: Re: [Freeon-users] freeon documentation Hi Gao,
we don't have a Mac to try this out, so I am going to have to guess a little bit. I noticed that you are using gcc from XCode tools which is pretty old (4.0.1) and a much more recent Fortran frontend (4.4.0). Try to use the newer gcc
for C also, i.e. you should pass
CC=/usr/local/bin/gcc
to configure as well.
You clone from git and rebuild the configure scripts using your local versions of autoconf/automake/libtool and the error you are seeing might have to do with differences in autoconf/automake/libtool versions between your laptop and
our machines. Could you try to download a tar file from
which already includes a prebuilt configure script? Once unpacked you can run configure right away and don't have to autoreconf.
Thanks,
nick
On Fri, Apr 27, 2012 at 02:04, Gao Bin <address@hidden> wrote:
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H2O_73662.out
Description: H2O_73662.out
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