An error is reported when the Python version is plumed

[s1lence-yxh]

PLUMED: ERROR
PLUMED: I cannot understand line: OPES_METAD LABEL=opesmtd ARG=d1z,c1 PACE=500 BARRIER=50 TEMP=300.0 STATE_WFILE=STATE FILE=KERNELS
PLUMED: Maybe a missing space or a typo?
PLUMED: ################################################################################
PLUMED:
PLUMED: (core/PlumedMain.cpp:823) void PLMD::PlumedMain::readInputWords(const std::vector<std::__cxx11::basic_string >&)
PLUMED: ERROR
PLUMED: I cannot understand line: OPES_METAD LABEL=opesmtd ARG=d1z,c1 PACE=500 BARRIER=50 TEMP=300.0 STATE_WFILE=STATE FILE=KERNELS
PLUMED: Maybe a missing space or a typo?
PLUMED: ################################################################################
Traceback (most recent call last):
File "/home/user/yxh/mace/NH/md.py", line 30, in
sys.calc =Plumed(calc=macemp,
^^^^^^^^^^^^^^^^^^^
File "/home/user/.conda/envs/mace/lib/python3.12/site-packages/ase/calculators/plumed.py", line 154, in init
self.plumed.cmd("readInputLine", line)
File "plumed.pyx", line 263, in plumed.Plumed.cmd
File "plumed.pyx", line 178, in plumed.Plumed.cmd_low_level
File "plumed.pyx", line 161, in plumed.Plumed.raise_exception
plumed.PlumedError:
(core/PlumedMain.cpp:823) void PLMD::PlumedMain::readInputWords(const std::vector<std::__cxx11::basic_string >&)
ERROR
I cannot understand line: OPES_METAD LABEL=opesmtd ARG=d1z,c1 PACE=500 BARRIER=50 TEMP=300.0 STATE_WFILE=STATE FILE=KERNELS
Maybe a missing space or a typo?
PLUMED: Cycles Total Average Minimum Maximum
PLUMED: 1 0.002480 0.002480 0.002480 0.002480

please tell me what makes this mistake

[GiovanniBussi]

Did you compile plumed with opes module enabled? Sent from Gmail mobile Il giorno sab 30 mar 2024 alle 12:12 s1lence-yxh ***@***.***> ha scritto:

…

PLUMED: ERROR PLUMED: I cannot understand line: OPES_METAD LABEL=opesmtd ARG=d1z,c1 PACE=500 BARRIER=50 TEMP=300.0 STATE_WFILE=STATE FILE=KERNELS PLUMED: Maybe a missing space or a typo? PLUMED: ################################################################################ PLUMED: PLUMED: (core/PlumedMain.cpp:823) void PLMD::PlumedMain::readInputWords(const std::vector<std::__cxx11::basic_string >&) PLUMED: ERROR PLUMED: I cannot understand line: OPES_METAD LABEL=opesmtd ARG=d1z,c1 PACE=500 BARRIER=50 TEMP=300.0 STATE_WFILE=STATE FILE=KERNELS PLUMED: Maybe a missing space or a typo? PLUMED: ################################################################################ Traceback (most recent call last): File "/home/user/yxh/mace/NH/md.py", line 30, in sys.calc =Plumed(calc=macemp, ^^^^^^^^^^^^^^^^^^^ File "/home/user/.conda/envs/mace/lib/python3.12/site-packages/ase/calculators/plumed.py", line 154, in *init* self.plumed.cmd("readInputLine", line) File "plumed.pyx", line 263, in plumed.Plumed.cmd File "plumed.pyx", line 178, in plumed.Plumed.cmd_low_level File "plumed.pyx", line 161, in plumed.Plumed.raise_exception plumed.PlumedError: (core/PlumedMain.cpp:823) void PLMD::PlumedMain::readInputWords(const std::vector<std::__cxx11::basic_string >&) ERROR I cannot understand line: OPES_METAD LABEL=opesmtd ARG=d1z,c1 PACE=500 BARRIER=50 TEMP=300.0 STATE_WFILE=STATE FILE=KERNELS Maybe a missing space or a typo? PLUMED: Cycles Total Average Minimum Maximum PLUMED: 1 0.002480 0.002480 0.002480 0.002480 please tell me what makes this mistake — Reply to this email directly, view it on GitHub <#1055>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/ABBNCXWHL3EM57NAYCK24VLY22M2TAVCNFSM6AAAAABFPPDJKSVHI2DSMVQWIX3LMV43ERDJONRXK43TNFXW4OZWGQZTQNRWGI> . You are receiving this because you are subscribed to this thread.Message ID: ***@***.***>

[s1lence-yxh]

Thank you for the reply! I installed Plumed by Conda. How can I make opes module enabled? I could not find "./configure --enable-modules=opes". Is it "./config.sh --enable-modules=opes"?

[GiovanniBussi]

I think on conda forge this is not possible. You either have to: - install plumed from source - use the version that we provide with master classes (look for the documentation in the 2022 series), hopefully it is stil functional Sent from Gmail mobile Il giorno dom 31 mar 2024 alle 07:03 s1lence-yxh ***@***.***> ha scritto:

…

Thank you for the reply! I installed Plumed by Conda. How can I make opes module enabled? I could not find "./configure --enable-modules=opes". Is it "./config.sh --enable-modules=opes"? — Reply to this email directly, view it on GitHub <#1055 (reply in thread)>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/ABBNCXXXTOHHJ22VEXSBGF3Y26KLTAVCNFSM6AAAAABFPPDJKSVHI2DSMVQWIX3LMV43SRDJONRXK43TNFXW4Q3PNVWWK3TUHM4DSNRTGAYDE> . You are receiving this because you commented.Message ID: ***@***.***>

[s1lence-yxh]

Thank you very much. Sadly, I want to use Plumed by ASE. It is very unfortunate that I cannot use module of opes.