Task 38580191
| Name | JNK1_A24_A37_r2_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND0961_6 |
| Workunit | 31545073 |
| Created | 11 Dec 2025, 14:08:01 UTC |
| Sent | 11 Dec 2025, 14:08:05 UTC |
| Report deadline | 16 Dec 2025, 14:08:05 UTC |
| Received | 11 Dec 2025, 17:22:35 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 124372 |
| Run time | |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 22,727.06 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 51.39 MB |
| Peak swap size | 36.82 MB |
| Peak disk usage | 1.52 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
El sistema operativo no puede ejecutar (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
18:20:56 (3044): wrapper (7.9.26016): starting
18:20:56 (3044): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A24_A37_0.pdb
QB_A24_A37_0.xml
QB_A24_A37_equil.pdb
QB_A24_A37.inpcrd
QB_A24_A37_input.yaml
QB_A24_A37_mdlambda.pdb
QB_A24_A37_min.pdb
QB_A24_A37_npt.pdb
QB_A24_A37_out_merged_nowater.pdb
QB_A24_A37.pdb
QB_A24_A37.prmtop
QB_A24_A37_sys.xml
QB_A24_A37_therm.pdb
run.bat
run.sh
18:20:57 (3044): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:20:57 (3044): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: Retrying (Retry(total=4, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000020DD6A4FB10>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
WARNING: Retrying (Retry(total=3, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000020DD6A58750>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
WARNING: Retrying (Retry(total=2, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000020DD6A58DD0>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
WARNING: Retrying (Retry(total=1, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000020DD6A59750>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
WARNING: Retrying (Retry(total=0, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000020DD6A5A150>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
ERROR: Could not find a version that satisfies the requirement pyaml (from versions: none)
ERROR: No matching distribution found for pyaml
Running command git version
git version 2.47.0.windows.1
Running command git clone --filter=blob:none https://github.com/Acellera/atm.git 'F:\BOINC\data\slots\2\pip-req-build-uzh00dki'
Cloning into 'F:\BOINC\data\slots\2\pip-req-build-uzh00dki'...
fatal: unable to access 'https://github.com/Acellera/atm.git/': Failed to connect to github.com port 443 after 358 ms: Could not connect to server
error: subprocess-exited-with-error
git clone --filter=blob:none https://github.com/Acellera/atm.git 'F:\BOINC\data\slots\2\pip-req-build-uzh00dki' did not run successfully.
exit code: 128
See above for output.
note: This error originates from a subprocess, and is likely not a problem with pip.
full command: git clone --filter=blob:none https://github.com/Acellera/atm.git 'F:\BOINC\data\slots\2\pip-req-build-uzh00dki'
cwd: [inherit]
error: subprocess-exited-with-error
git clone --filter=blob:none https://github.com/Acellera/atm.git 'F:\BOINC\data\slots\2\pip-req-build-uzh00dki' did not run successfully.
exit code: 128
See above for output.
note: This error originates from a subprocess, and is likely not a problem with pip.
python.exe: can't open file 'F:\\BOINC\\data\\slots\\2\\Scripts\\rbfe_production.exe': [Errno 2] No such file or directory
18:21:11 (3044): C:/Windows/system32/cmd.exe exited; CPU time 0.937500
18:21:11 (3044): app exit status: 0x16
18:21:11 (3044): called boinc_finish(195)
0 bytes in 0 Free Blocks.
456 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 274921 bytes.
Dumping objects ->
{3835555} normal block at 0x00000123131219C0, 48 bytes long.
Data: <PATH=F:\BOINC\da> 50 41 54 48 3D 46 3A 5C 42 4F 49 4E 43 5C 64 61
{3835544} normal block at 0x00000123131B5B90, 32 bytes long.
Data: <HOME=F:\BOINC\da> 48 4F 4D 45 3D 46 3A 5C 42 4F 49 4E 43 5C 64 61
{3835533} normal block at 0x00000123131B6B50, 32 bytes long.
Data: <TMP=F:\BOINC\dat> 54 4D 50 3D 46 3A 5C 42 4F 49 4E 43 5C 64 61 74
{3835522} normal block at 0x00000123131B5AD0, 32 bytes long.
Data: <TEMP=F:\BOINC\da> 54 45 4D 50 3D 46 3A 5C 42 4F 49 4E 43 5C 64 61
{3835511} normal block at 0x00000123131B6190, 32 bytes long.
Data: <TMPDIR=F:\BOINC\> 54 4D 50 44 49 52 3D 46 3A 5C 42 4F 49 4E 43 5C
{3835480} normal block at 0x0000012313121090, 48 bytes long.
Data: <PATH=F:\BOINC\da> 50 41 54 48 3D 46 3A 5C 42 4F 49 4E 43 5C 64 61
{3835469} normal block at 0x00000123113E5590, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3835466} normal block at 0x0000012311391FD0, 8 bytes long.
Data: < ‡ # > 00 00 87 11 23 01 00 00
{3834691} normal block at 0x00000123113E42E0, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833963} normal block at 0x0000012311392390, 8 bytes long.
Data: <@ƒ # > 40 83 1C 13 23 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000123113868B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000012311385020, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000001231139A520, 16 bytes long.
Data: <ȱ9 # > C8 B1 39 11 23 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001231139A700, 16 bytes long.
Data: < ±9 # > A0 B1 39 11 23 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000012311394420, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000001231139A390, 16 bytes long.
Data: <x±9 # > 78 B1 39 11 23 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001231139A4D0, 16 bytes long.
Data: <P±9 # > 50 B1 39 11 23 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001231139A980, 16 bytes long.
Data: <(±9 # > 28 B1 39 11 23 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001231139A250, 16 bytes long.
Data: < ±9 # > 00 B1 39 11 23 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000123113965B0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000001231139AD90, 16 bytes long.
Data: < 8 # > 08 18 38 11 23 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000012311394840, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000001231139A430, 16 bytes long.
Data: <à 8 # > E0 17 38 11 23 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001231139A610, 16 bytes long.
Data: <¸ 8 # > B8 17 38 11 23 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001231139A340, 16 bytes long.
Data: < 8 # > 90 17 38 11 23 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001231139A6B0, 16 bytes long.
Data: <h 8 # > 68 17 38 11 23 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001231139A2F0, 16 bytes long.
Data: <@ 8 # > 40 17 38 11 23 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001231139A5C0, 16 bytes long.
Data: < 8 # > 18 17 38 11 23 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000123113948A0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000001231139AB10, 16 bytes long.
Data: <ð 8 # > F0 16 38 11 23 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000123113816F0, 320 bytes long.
Data: < «9 #  H9 # > 10 AB 39 11 23 01 00 00 A0 48 39 11 23 01 00 00
{277} normal block at 0x000001231139A200, 16 bytes long.
Data: <à°9 # > E0 B0 39 11 23 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001231139A7F0, 16 bytes long.
Data: <¸°9 # > B8 B0 39 11 23 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000123113942A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000001231139A0C0, 16 bytes long.
Data: < °9 # > 90 B0 39 11 23 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000012311393DC0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000001231139A020, 16 bytes long.
Data: <د9 # > D8 AF 39 11 23 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000012311399FD0, 16 bytes long.
Data: <°¯9 # > B0 AF 39 11 23 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001231139A750, 16 bytes long.
Data: < ¯9 # > 88 AF 39 11 23 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001231139A8E0, 16 bytes long.
Data: <`¯9 # > 60 AF 39 11 23 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001231139A840, 16 bytes long.
Data: <8¯9 # > 38 AF 39 11 23 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001231139A480, 16 bytes long.
Data: < ¯9 # > 10 AF 39 11 23 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000012311399F80, 16 bytes long.
Data: <p`9 # > 70 60 39 11 23 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000012311396070, 40 bytes long.
Data: < Ÿ9 # # > 80 9F 39 11 23 01 00 00 90 10 12 13 23 01 00 00
{263} normal block at 0x000001231139AAC0, 16 bytes long.
Data: <ð®9 # > F0 AE 39 11 23 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001231139A660, 16 bytes long.
Data: <Ȯ9 # > C8 AE 39 11 23 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000012311393A00, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000001231139AA70, 16 bytes long.
Data: < ®9 # > A0 AE 39 11 23 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001231139AEA0, 992 bytes long.
Data: <pª9 # :9 # > 70 AA 39 11 23 01 00 00 00 3A 39 11 23 01 00 00
{95} normal block at 0x00000123113947E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x0000012311391A30, 16 bytes long.
Data: <à`9 # > E0 60 39 11 23 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x00000123113960E0, 40 bytes long.
Data: <0 9 # àG9 # > 30 1A 39 11 23 01 00 00 E0 47 39 11 23 01 00 00
{72} normal block at 0x0000012311391DF0, 16 bytes long.
Data: < ê õö > 80 EA 81 F5 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000012311391AD0, 16 bytes long.
Data: <@é õö > 40 E9 81 F5 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000012311391EE0, 16 bytes long.
Data: <øW~õö > F8 57 7E F5 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000123113923E0, 16 bytes long.
Data: <ØW~õö > D8 57 7E F5 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000012311391850, 16 bytes long.
Data: <P ~õö > 50 04 7E F5 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000012311391BC0, 16 bytes long.
Data: <0 ~õö > 30 04 7E F5 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000012311392020, 16 bytes long.
Data: <à ~õö > E0 02 7E F5 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000012311391C10, 16 bytes long.
Data: < ~õö > 10 04 7E F5 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000012311391800, 16 bytes long.
Data: <p ~õö > 70 04 7E F5 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000012311391B20, 16 bytes long.
Data: < À|õö > 18 C0 7C F5 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2025 Universitat Pompeu Fabra