Task 38581609
| Name | JNK1_A25_A31_r1_1-QUICO_ATM_GAFF2_LOMAP_JNK1-0-5-RND9386_8 |
| Workunit | 31545077 |
| Created | 12 Dec 2025, 11:17:30 UTC |
| Sent | 12 Dec 2025, 11:17:35 UTC |
| Report deadline | 17 Dec 2025, 11:17:35 UTC |
| Received | 12 Dec 2025, 11:55:26 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 632325 |
| Run time | 2 min 8 sec |
| CPU time | 1 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 44,864.81 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 51.17 MB |
| Peak swap size | 38.65 MB |
| Peak disk usage | 1.42 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
(unknown error) (87) - exit code 195 (0xc3)</message>
<stderr_txt>
19:52:05 (53924): wrapper (7.9.26016): starting
19:52:05 (53924): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A25_A31_0.pdb
QB_A25_A31_0.xml
QB_A25_A31_equil.pdb
QB_A25_A31.inpcrd
QB_A25_A31_input.yaml
QB_A25_A31_mdlambda.pdb
QB_A25_A31_min.pdb
QB_A25_A31_npt.pdb
QB_A25_A31_out_merged_nowater.pdb
QB_A25_A31.pdb
QB_A25_A31.prmtop
QB_A25_A31_sys.xml
QB_A25_A31_therm.pdb
run.bat
run.sh
19:52:08 (53924): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:52:08 (53924): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: The script pyaml.exe is installed in 'E:\BOINC\shujv\slots\17\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Running command git version
git version 2.47.0.windows.1
Running command git clone --filter=blob:none https://github.com/Acellera/atm.git 'E:\BOINC\shujv\slots\17\pip-req-build-d0l90931'
Cloning into 'E:\BOINC\shujv\slots\17\pip-req-build-d0l90931'...
fatal: unable to access 'https://github.com/Acellera/atm.git/': Recv failure: Connection was reset
error: subprocess-exited-with-error
git clone --filter=blob:none https://github.com/Acellera/atm.git 'E:\BOINC\shujv\slots\17\pip-req-build-d0l90931' 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 'E:\BOINC\shujv\slots\17\pip-req-build-d0l90931'
cwd: [inherit]
error: subprocess-exited-with-error
git clone --filter=blob:none https://github.com/Acellera/atm.git 'E:\BOINC\shujv\slots\17\pip-req-build-d0l90931' 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 'E:\\BOINC\\shujv\\slots\\17\\Scripts\\rbfe_production.exe': [Errno 2] No such file or directory
19:53:10 (53924): C:/Windows/system32/cmd.exe exited; CPU time 1.781250
19:53:10 (53924): app exit status: 0x16
19:53:10 (53924): called boinc_finish(195)
0 bytes in 0 Free Blocks.
176 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: 938791 bytes.
Dumping objects ->
{3835344} normal block at 0x0000020D578C15D0, 48 bytes long.
Data: <PATH=E:\BOINC\sh> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 68
{3835333} normal block at 0x0000020D57A01E10, 32 bytes long.
Data: <HOME=E:\BOINC\sh> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 73 68
{3835322} normal block at 0x0000020D57A024D0, 32 bytes long.
Data: <TMP=E:\BOINC\shu> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 68 75
{3835311} normal block at 0x0000020D57A01C30, 32 bytes long.
Data: <TEMP=E:\BOINC\sh> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 68
{3835300} normal block at 0x0000020D57A02B90, 32 bytes long.
Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C
{3835269} normal block at 0x0000020D578C16B0, 48 bytes long.
Data: <PATH=E:\BOINC\sh> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 68
..\api\boinc_api.cpp(309) : {3835256} normal block at 0x0000020D559861E0, 8 bytes long.
Data: < <W > 00 00 3C 57 0D 02 00 00
{3834041} normal block at 0x0000020D55986910, 8 bytes long.
Data: < W W > F0 57 A5 57 0D 02 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000020D5598FB50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000020D55976110, 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 0x0000020D559911D0, 16 bytes long.
Data: <H3 U > 48 33 99 55 0D 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000020D55990FF0, 16 bytes long.
Data: < 3 U > 20 33 99 55 0D 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000020D5598C920, 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 0x0000020D55991360, 16 bytes long.
Data: < 2 U > F8 32 99 55 0D 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000020D55990DC0, 16 bytes long.
Data: < 2 U > D0 32 99 55 0D 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000020D559918B0, 16 bytes long.
Data: < 2 U > A8 32 99 55 0D 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000020D55991130, 16 bytes long.
Data: < 2 U > 80 32 99 55 0D 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000020D5598ACF0, 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 0x0000020D559917C0, 16 bytes long.
Data: < U > D8 BD 98 55 0D 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000020D5598CDA0, 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 0x0000020D55990FA0, 16 bytes long.
Data: < U > B0 BD 98 55 0D 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000020D55991220, 16 bytes long.
Data: < U > 88 BD 98 55 0D 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000020D559910E0, 16 bytes long.
Data: <` U > 60 BD 98 55 0D 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000020D55990F50, 16 bytes long.
Data: <8 U > 38 BD 98 55 0D 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000020D55991590, 16 bytes long.
Data: < U > 10 BD 98 55 0D 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000020D55990D70, 16 bytes long.
Data: < U > E8 BC 98 55 0D 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000020D5598CC20, 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 0x0000020D55991040, 16 bytes long.
Data: < U > C0 BC 98 55 0D 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000020D5598BCC0, 320 bytes long.
Data: <@ U U > 40 10 99 55 0D 02 00 00 20 CC 98 55 0D 02 00 00
{272} normal block at 0x0000020D55991950, 16 bytes long.
Data: <`2 U > 60 32 99 55 0D 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000020D55991770, 16 bytes long.
Data: <82 U > 38 32 99 55 0D 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000020D5598C0E0, 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 0x0000020D55991180, 16 bytes long.
Data: < 2 U > 10 32 99 55 0D 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000020D5598C800, 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 0x0000020D559919F0, 16 bytes long.
Data: <X1 U > 58 31 99 55 0D 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000020D559919A0, 16 bytes long.
Data: <01 U > 30 31 99 55 0D 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000020D55990AF0, 16 bytes long.
Data: < 1 U > 08 31 99 55 0D 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000020D559912C0, 16 bytes long.
Data: < 0 U > E0 30 99 55 0D 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000020D55991090, 16 bytes long.
Data: < 0 U > B8 30 99 55 0D 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000020D55990D20, 16 bytes long.
Data: < 0 U > 90 30 99 55 0D 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000020D55991720, 16 bytes long.
Data: < U > D0 AD 98 55 0D 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000020D5598ADD0, 40 bytes long.
Data: < U W > 20 17 99 55 0D 02 00 00 B0 16 8C 57 0D 02 00 00
{258} normal block at 0x0000020D55991900, 16 bytes long.
Data: <p0 U > 70 30 99 55 0D 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000020D55990CD0, 16 bytes long.
Data: <H0 U > 48 30 99 55 0D 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000020D5598C5C0, 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 0x0000020D55990EB0, 16 bytes long.
Data: < 0 U > 20 30 99 55 0D 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000020D55993020, 992 bytes long.
Data: < U U > B0 0E 99 55 0D 02 00 00 C0 C5 98 55 0D 02 00 00
{90} normal block at 0x0000020D5598CC80, 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 0x0000020D55986640, 16 bytes long.
Data: < U > 80 AC 98 55 0D 02 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x0000020D5598AC80, 40 bytes long.
Data: <@f U U > 40 66 98 55 0D 02 00 00 80 CC 98 55 0D 02 00 00
{65} normal block at 0x0000020D559860F0, 16 bytes long.
Data: < > 80 EA 7F 09 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000020D55986E10, 16 bytes long.
Data: <@ > 40 E9 7F 09 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000020D559868C0, 16 bytes long.
Data: < W| > F8 57 7C 09 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000020D55986D20, 16 bytes long.
Data: < W| > D8 57 7C 09 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000020D55986CD0, 16 bytes long.
Data: <P | > 50 04 7C 09 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000020D55985F60, 16 bytes long.
Data: <0 | > 30 04 7C 09 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000020D559866E0, 16 bytes long.
Data: < | > E0 02 7C 09 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000020D55986960, 16 bytes long.
Data: < | > 10 04 7C 09 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000020D55986820, 16 bytes long.
Data: <p | > 70 04 7C 09 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000020D55986780, 16 bytes long.
Data: < z > 18 C0 7A 09 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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