my pc configuration is Core i3 and RAM=4
my gaussian version is g09 revision-A.02 SMP
So please what to write in route section for use maximum core for calculation.
i am beginner in gaussian so pls. describe with sample route example. ?
To do this, you need the Parallel version of gaussian.
You are using intel i3, so I assume you can a maximum of only two cores, in this case your input would look something like:
%NProcShared=2
%Mem=2GB
# HF/6-31G(d)
water energy
0 1
O -0.464 0.177 0.0
H -0.464 1.137 0.0
H 0.441 -0.143 0.0
Hi all,
I use also Gaussian 09 on Window environment. And the maximum number of the cores I can use is only 4, and 1500 MB for RAM memory. Any can suggest me how to increase it?
Thanks so much.
As Fernando pointed out you can modify your route section to increase number of processors and amount of memory.
You can get more information from following link.
http://www.gaussian.com/g_tech/g_ur/k_link0.htm
Thank you...
%mem . what is it indicates? is it for RAM memory or harddisk memory.
onemore question my pc have 4 core so why i have to choose 2 core and RAM is 4gb so why i have to use 2gb. i want to understand why we have to choose 2 core instead of 4 and ram 2gb instead of 2.8 gb because in 32bit free usable ram is 2.8Gb.
It will help me lot if you explain me it.
Thank you....
%mem in Gaussian indicates RAM memory.
You can specify the harddisk space using "maxdisk" keyword
As for the limitations: from the gaussian website: "As is the case with all 32-bit Fortran applications, the 32-bit version of Gaussian 09W is limited to accessing at most 2 GB of RAM and 16 GB of disk regardless of how much memory is available on the system. The 32-bit multiprocessor version of G09W is limited to 4 processors (or cores)."
The 64-bit version can, on the other hand, access basically unlimited amounts of memory.
It is RAM memory.
Fernando has assumed that you have 2 core machine (because most of corei3s have 2 cores). So, if you have 4 cores, you can change 2 to 4 as follows.
"%NProcShared=4"
As per the Mem, total memory used by each core cannot be exceed the total available memory in your system. For example if you have 4 core machine with 4gb RAM available, then %mem should be %mem=1GB. (This is my understanding. If this is wrong someone can correct it).
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