Task 38579914
| Name | JNK1_A27_A38_r3_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND7266_2 |
| Workunit | 31545094 |
| Created | 11 Dec 2025, 13:27:52 UTC |
| Sent | 11 Dec 2025, 13:27:53 UTC |
| Report deadline | 16 Dec 2025, 13:27:53 UTC |
| Received | 16 Dec 2025, 12:42:21 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 637154 |
| Run time | 5 min 26 sec |
| CPU time | 16 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 22,278.46 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 55.01 MB |
| Peak swap size | 39.23 MB |
| Peak disk usage | 2.81 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
13:19:02 (4936): wrapper (7.9.26016): starting
13:19:02 (4936): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A38_0.pdb
QB_A27_A38_0.xml
QB_A27_A38_equil.pdb
QB_A27_A38.inpcrd
QB_A27_A38_input.yaml
QB_A27_A38_mdlambda.pdb
QB_A27_A38_min.pdb
QB_A27_A38_npt.pdb
QB_A27_A38_out_merged_nowater.pdb
QB_A27_A38.pdb
QB_A27_A38.prmtop
QB_A27_A38_sys.xml
QB_A27_A38_therm.pdb
run.bat
run.sh
13:19:40 (4936): Library/usr/bin/tar.exe exited; CPU time 1.687500
13:19:40 (4936): 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 0x0000018FA11B3F10>: 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 0x0000018FA11BC5D0>: 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 0x0000018FA11BD010>: 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 0x0000018FA11BD890>: 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 0x0000018FA11BE210>: 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 'C:\ProgramData\BOINC\slots\24\pip-req-build-k3j2im7r'
Cloning into 'C:\ProgramData\BOINC\slots\24\pip-req-build-k3j2im7r'...
fatal: unable to access 'https://github.com/Acellera/atm.git/': Could not resolve host: github.com
error: subprocess-exited-with-error
git clone --filter=blob:none https://github.com/Acellera/atm.git 'C:\ProgramData\BOINC\slots\24\pip-req-build-k3j2im7r' 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 'C:\ProgramData\BOINC\slots\24\pip-req-build-k3j2im7r'
cwd: [inherit]
error: subprocess-exited-with-error
git clone --filter=blob:none https://github.com/Acellera/atm.git 'C:\ProgramData\BOINC\slots\24\pip-req-build-k3j2im7r' 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 'C:\\ProgramData\\BOINC\\slots\\24\\Scripts\\rbfe_production.exe': [Errno 2] No such file or directory
13:21:11 (4936): C:/Windows/system32/cmd.exe exited; CPU time 14.375000
13:21:11 (4936): app exit status: 0x16
13:21:11 (4936): called boinc_finish(195)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 1886755 bytes.
Dumping objects ->
{3835255} normal block at 0x0000023EA97C8610, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835244} normal block at 0x0000023EA97C8450, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835233} normal block at 0x0000023EA97C8290, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835222} normal block at 0x0000023EA97C85A0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835211} normal block at 0x0000023EA97C8140, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835180} normal block at 0x0000023EAB43DD10, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835167} normal block at 0x0000023EA97BE0A0, 8 bytes long.
Data: < v©> > 00 00 76 A9 3E 02 00 00
{3833953} normal block at 0x0000023EA97BE2D0, 8 bytes long.
Data: <@vL«> > 40 76 4C AB 3E 02 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000023EA97B4EF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000023EA97B59A0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x0000023EA97C9150, 16 bytes long.
Data: <x |©> > 78 9D 7C A9 3E 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000023EA97C93D0, 16 bytes long.
Data: <P |©> > 50 9D 7C A9 3E 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000023EA97C4950, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x0000023EA97C9790, 16 bytes long.
Data: <( |©> > 28 9D 7C A9 3E 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000023EA97C9740, 16 bytes long.
Data: < |©> > 00 9D 7C A9 3E 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000023EA97C9100, 16 bytes long.
Data: <Øœ|©> > D8 9C 7C A9 3E 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000023EA97C8E80, 16 bytes long.
Data: <°œ|©> > B0 9C 7C A9 3E 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000023EA97C84C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x0000023EA97C8DE0, 16 bytes long.
Data: <Èñz©> > C8 F1 7A A9 3E 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000023EA97C3FF0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x0000023EA97C8FC0, 16 bytes long.
Data: < ñz©> > A0 F1 7A A9 3E 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000023EA97C88E0, 16 bytes long.
Data: <xñz©> > 78 F1 7A A9 3E 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000023EA97C8CF0, 16 bytes long.
Data: <Pñz©> > 50 F1 7A A9 3E 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000023EA97C9470, 16 bytes long.
Data: <(ñz©> > 28 F1 7A A9 3E 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000023EA97C9010, 16 bytes long.
Data: < ñz©> > 00 F1 7A A9 3E 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000023EA97C90B0, 16 bytes long.
Data: <Øðz©> > D8 F0 7A A9 3E 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000023EA97C42F0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x0000023EA97C92E0, 16 bytes long.
Data: <°ðz©> > B0 F0 7A A9 3E 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000023EA97AF0B0, 320 bytes long.
Data: <à’|©> ðB|©> > E0 92 7C A9 3E 02 00 00 F0 42 7C A9 3E 02 00 00
{272} normal block at 0x0000023EA97C8C50, 16 bytes long.
Data: < œ|©> > 90 9C 7C A9 3E 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000023EA97C96F0, 16 bytes long.
Data: <hœ|©> > 68 9C 7C A9 3E 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000023EA97C4BF0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x0000023EA97C8C00, 16 bytes long.
Data: <@œ|©> > 40 9C 7C A9 3E 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000023EA97C4D10, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x0000023EA97C89D0, 16 bytes long.
Data: < ›|©> > 88 9B 7C A9 3E 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000023EA97C9650, 16 bytes long.
Data: <`›|©> > 60 9B 7C A9 3E 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000023EA97C8CA0, 16 bytes long.
Data: <8›|©> > 38 9B 7C A9 3E 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000023EA97C8F70, 16 bytes long.
Data: < ›|©> > 10 9B 7C A9 3E 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000023EA97C8F20, 16 bytes long.
Data: <èš|©> > E8 9A 7C A9 3E 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000023EA97C8D90, 16 bytes long.
Data: <Àš|©> > C0 9A 7C A9 3E 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000023EA97C8930, 16 bytes long.
Data: <`‡|©> > 60 87 7C A9 3E 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000023EA97C8760, 40 bytes long.
Data: <0‰|©> ÝC«> > 30 89 7C A9 3E 02 00 00 10 DD 43 AB 3E 02 00 00
{258} normal block at 0x0000023EA97C8B60, 16 bytes long.
Data: < š|©> > A0 9A 7C A9 3E 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000023EA97C8D40, 16 bytes long.
Data: <xš|©> > 78 9A 7C A9 3E 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000023EA97C4890, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x0000023EA97C9290, 16 bytes long.
Data: <Pš|©> > 50 9A 7C A9 3E 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000023EA97C9A50, 992 bytes long.
Data: < ’|©> H|©> > 90 92 7C A9 3E 02 00 00 90 48 7C A9 3E 02 00 00
{90} normal block at 0x0000023EA97C4470, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x0000023EA97BDD30, 16 bytes long.
Data: <pƒ|©> > 70 83 7C A9 3E 02 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x0000023EA97C8370, 40 bytes long.
Data: <0Ý{©> pD|©> > 30 DD 7B A9 3E 02 00 00 70 44 7C A9 3E 02 00 00
{67} normal block at 0x0000023EA97BD970, 16 bytes long.
Data: < ê>'ö > 80 EA 3E 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000023EA97BDF60, 16 bytes long.
Data: <@é>'ö > 40 E9 3E 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000023EA97BDA10, 16 bytes long.
Data: <øW;'ö > F8 57 3B 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000023EA97BDEC0, 16 bytes long.
Data: <ØW;'ö > D8 57 3B 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000023EA97BD920, 16 bytes long.
Data: <P ;'ö > 50 04 3B 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000023EA97BDB00, 16 bytes long.
Data: <0 ;'ö > 30 04 3B 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000023EA97BE550, 16 bytes long.
Data: <à ;'ö > E0 02 3B 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000023EA97BE0F0, 16 bytes long.
Data: < ;'ö > 10 04 3B 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000023EA97BDAB0, 16 bytes long.
Data: <p ;'ö > 70 04 3B 27 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000023EA97BE780, 16 bytes long.
Data: < À9'ö > 18 C0 39 27 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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