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hi all
i'm using lammps to simulate cross-linked polymer material. can anyone please suggest me how to generate cross-linked polymer (epoxy) chains in a defined box which can be read from lammps using readdata command?
Thanks in advance.
2009-12-14 18:33:14 UTC by djrezwan
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I have a question regarding running more than one different simulations at one go. For example I have two executables with different source code and two different run files.
How do I do this in Linux?
Eg: Executables – lmp_exe1; lmp_exe2
Molecules – run_mol1, run_mol2
I wish to submit both of them at one go and considering both has the same seed, I would like to compare...
2009-11-18 21:33:52 UTC by vincebrown94
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Forget my previous entry.
I did properly configure and instal mpich on the linux system using --prefix.
I believe my problem is that I do not have the icc compiler.
I am using Portland Group compilers with mpich. I am trying to make all with the exceptions of the gpu and opt progams. I have resolved all the locations of include files to create all the object files. I have reached the...
2009-11-13 19:55:53 UTC by mdoll1
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I do not have the Intel c compiler. I am using Portland Group compilers with mpich. I am trying to make all with the exceptions of the gpu and opt progams. I have resolved all the locations of files to create all the object files. I have reached the last stage where the program is linked together.
pgcpp -O -L...
The build fails because I am missing Intel compiler libraries starting with...
2009-11-13 19:47:19 UTC by nobody
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hi,
please check if you have properly configured and installed mpich on your linux box. You should configure mpich with prefix. Here is way of doing all this: I installed openmpi
*/configure --prefix=/home/ram/openmpi/prefix
make all install*
and then give your path in makefile.linux as:
*CC = /home/ram/openmpi/prefix/bin/mpicc*
hope it'll work...
cheers,
Ram.
2009-11-11 06:22:24 UTC by raguelmoon
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I have a ROCKS cluster with RedHat linux. mpich was compiled against Portland compilers.
I set up my account using
export PGI=/share/apps/pgi
export PATH=$PGI/linux86-64/7.1-1/bin:$PATH
export LM_LICENSE_FILE=$PGI/license.dat
export PATH=/share/apps/bin:$PATH
I edited src/MAKE/Makefile.linux changing the following lines
CC = /share/apps/bin/mpicc
#MPI_INC =...
2009-11-10 20:27:21 UTC by mdoll1
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plz send me your email to my me, I'll send you you step by step procedure for installing LAMMPS on linux system. my email: raguelmoon (at) yahoo.com.
2009-10-24 15:10:53 UTC by raguelmoon
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I am also new, please anybody here who can help how to initialize the particles...
2009-10-24 13:17:51 UTC by raguelmoon
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No one reads this discussion forum - please post to the LAMMPS
mail list instead.
Steve.
2009-10-24 13:05:13 UTC by sjplimp
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Post your questions/comments to the LAMMPS mail list
instead.
Steve.
2009-10-24 13:03:53 UTC by sjplimp
