求助，能量最小化过程中遇到报错，如何解决？

zion623

Function:    void gmx::CommandLineParser::parse(int*, char**)


Error in user input:
Invalid command-line options
  In command-line option -o
    Too many values


For more information and tips for troubleshooting, please check the GROMACS
website at https://manual.gromacs.org/curre ... un-time-errors.html
-------------------------------------------------------
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
[unset]: write_line error; fd=-1 buf=:cmd=abort exitcode=1
:
system msg for write_line failure : Bad file descriptor

zion623

去除无视警告
ARNING 1 [file topol.top, line 49]:
  The GROMOS force fields have been parametrized with a physically
  incorrect multiple-time-stepping scheme for a twin-range cut-off. When
  used with a single-range cut-off (or a correct Trotter
  multiple-time-stepping scheme), physical properties, such as the density,
  might differ from the intended values. Since there are researchers
  actively working on validating GROMOS with modern integrators we have not
  yet removed the GROMOS force fields, but you should be aware of these
  issues and check if molecules in your system are affected before
  proceeding. Further information is available at
  https://gitlab.com/gromacs/gromacs/-/issues/2884, and a longer
  explanation of our decision to remove physically incorrect algorithms can
  be found at https://doi.org/10.26434/chemrxiv.11474583.v1 .

Analysing residue names:
There are:   542    Protein residues
There are:     1      Other residues
There are: 43373      Water residues
There are:     2        Ion residues
Analysing Protein...
Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
Number of degrees of freedom in T-Coupling group rest is 277482.00
The integrator does not provide a ensemble temperature, there is no system ensemble temperature

The largest distance between excluded atoms is 0.504 nm between atom 5705 and 5720
Calculating fourier grid dimensions for X Y Z
Using a fourier grid of 96x96x96, spacing 0.117 0.117 0.117

Estimate for the relative computational load of the PME mesh part: 0.27

This run will generate roughly 10 Mb of data

There was 1 NOTE

There was 1 WARNING

-------------------------------------------------------
Program:     gmx grompp, version 2024.1
Source file: src/gromacs/gmxpreprocess/grompp.cpp (line 2751)

Fatal error:
Too many warnings (1).
If you are sure all warnings are harmless, use the -maxwarn option.

For more information and tips for troubleshooting, please check the GROMACS
website at https://manual.gromacs.org/curre ... un-time-errors.html
-------------------------------------------------------
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
[unset]: write_line error; fd=-1 buf=:cmd=abort exitcode=1
:
system msg for write_line failure : Bad file descriptor

Seyilaxa

错误信息是-o选项输入有误，把输入信息也贴出来看看

zion623

已解决，谢谢

Starrymoon

请问可以贴一下解决方案吗