Hi,
I am trying to install USER-PHONON package but facing issues regarding installation. I am using latest lammps version and below is the docstring from executable.
At my first attempt, I got the error as “Missing third_order.cpp and h files”. I copied the files from github page and pasted them in USER-PHONON folder and error was resolved. On using make yes-user-phonon, I get the message that phonon package is being installed. On using make yes-kspace, i get the following output
Installing package kspace
updating package USER-PHONON
updating src/third_order.cpp
updating src/third_order.h
After these commands, I use the following command to create an executable which runs without any error
make -j40 intel_cpu_intelmpi
For some reason, phonon package is not in the executable as evident from the docstring below. I will really appreciate of having help on this issue.
Regarding,
Gurjot
Large-scale Atomic/Molecular Massively Parallel Simulator - 29 Mar 2019
Usage example: lmp_intel_cpu_intelmpi -var t 300 -echo screen -in in.alloy
OS: Linux 3.10.0-862.14.4.el7.x86_64 on x86_64
Compiler: Intel C++ Intel® C++ g++ 7.4 mode with OpenMP 5.0 preview 1
Active compile time flags:
-DLAMMPS_GZIP
-DLAMMPS_SMALLBIG
sizeof(smallint): 32-bit
sizeof(imageint): 32-bit
sizeof(tagint): 32-bit
sizeof(bigint): 64-bit
Installed packages:
MANYBODY POEMS PYTHON
Hi,
I am trying to install USER-PHONON package but facing issues regarding installation. I am using latest lammps version and below is the docstring from executable.
Sorry, but the latest LAMMPS version is currently the patch release from 20 November 2019, the latest stable version if from 7 August 2019
At my first attempt, I got the error as “Missing third_order.cpp and h files”. I copied the files from github page and pasted them in USER-PHONON folder and error was resolved. On using make yes-user-phonon, I get the message that phonon package is being installed. On using make yes-kspace, i get the following output
we do not recommend or support this way of resolving this problem. there should be no issue with the “current” releases.
Installing package kspace
updating package USER-PHONON
updating src/third_order.cpp
updating src/third_order.h
After these commands, I use the following command to create an executable which runs without any error
make -j40 intel_cpu_intelmpi
For some reason, phonon package is not in the executable as evident from the docstring below. I will really appreciate of having help on this issue.
you have to check, whether the executable that you are executing when running lmp_intel_cpu_intelmpi is actually the newly compiled executable, or still the old version. you can check with “which lmp_intel_cpu_intelmpi” or “type lmp_intel_cpu_intelmpi” where that executable is located and then compare the time stamp with that of the executable in your compilation folder. most of the time when people report issues of the kind that you are reporting, they have copied an executable somewhere into their search path and then do not copy the newly compiled executable to the same place. if you go to the src/ folder and then execute “./lmp_intel_cpu_intelmpi -h” you should see the info matching your newly compiled executable.
axel.