Task 38688511
| Name | test_244-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND7641_0 |
| Workunit | 31629856 |
| Created | 28 Oct 2026, 14:25:24 UTC |
| Sent | 28 Oct 2026, 14:25:25 UTC |
| Report deadline | 2 Nov 2026, 14:25:25 UTC |
| Received | 28 Oct 2026, 15:29:26 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 624957 |
| Run time | 1 hours 3 min 24 sec |
| CPU time | 1 hours 0 min 55 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,878.75 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 706.13 MB |
| Peak swap size | 6.84 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:27:16 (30844): wrapper (7.9.26016): starting
09:27:16 (30844): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
09:27:17 (30844): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:27:17 (30844): 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 'C:\ProgramData\BOINC\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.
WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\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.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
10:29:07 (30844): C:/Windows/system32/cmd.exe exited; CPU time 3655.921875
10:29:08 (30844): called boinc_finish(0)
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: 69709415 bytes.
Dumping objects ->
{3835204} normal block at 0x000001762ABCF700, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835193} normal block at 0x0000017628F56CE0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835182} normal block at 0x0000017628F56B90, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835171} normal block at 0x0000017628F569D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835160} normal block at 0x0000017628F56AB0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835129} normal block at 0x000001762AC1DA30, 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) : {3835116} normal block at 0x0000017628F4F1C0, 8 bytes long.
Data: < 8)v > 00 00 38 29 76 01 00 00
{3833967} normal block at 0x0000017628F4F210, 8 bytes long.
Data: <Pcõ(v > 50 63 F5 28 76 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000017628F51780, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000017628F46560, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x0000017628F57EB0, 16 bytes long.
Data: <È„õ(v > C8 84 F5 28 76 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000017628F57AF0, 16 bytes long.
Data: < „õ(v > A0 84 F5 28 76 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000017628F505B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x0000017628F575F0, 16 bytes long.
Data: <x„õ(v > 78 84 F5 28 76 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000017628F57FA0, 16 bytes long.
Data: <P„õ(v > 50 84 F5 28 76 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000017628F57500, 16 bytes long.
Data: <(„õ(v > 28 84 F5 28 76 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000017628F57A00, 16 bytes long.
Data: < „õ(v > 00 84 F5 28 76 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000017628F56A40, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x0000017628F573C0, 16 bytes long.
Data: <X¶ó(v > 58 B6 F3 28 76 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000017628F4FB30, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x0000017628F579B0, 16 bytes long.
Data: <0¶ó(v > 30 B6 F3 28 76 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000017628F57780, 16 bytes long.
Data: < ¶ó(v > 08 B6 F3 28 76 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000017628F57820, 16 bytes long.
Data: <àµó(v > E0 B5 F3 28 76 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000017628F57E10, 16 bytes long.
Data: <¸µó(v > B8 B5 F3 28 76 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000017628F57B40, 16 bytes long.
Data: < µó(v > 90 B5 F3 28 76 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000017628F57E60, 16 bytes long.
Data: <hµó(v > 68 B5 F3 28 76 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000017628F4FEF0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x0000017628F575A0, 16 bytes long.
Data: <@µó(v > 40 B5 F3 28 76 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000017628F3B540, 320 bytes long.
Data: < uõ(v ðþô(v > A0 75 F5 28 76 01 00 00 F0 FE F4 28 76 01 00 00
{279} normal block at 0x0000017628F57D20, 16 bytes long.
Data: <àƒõ(v > E0 83 F5 28 76 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000017628F57870, 16 bytes long.
Data: <¸ƒõ(v > B8 83 F5 28 76 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000017628F4FA70, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x0000017628F57690, 16 bytes long.
Data: < ƒõ(v > 90 83 F5 28 76 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000017628F507F0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x0000017628F57640, 16 bytes long.
Data: <Ø‚õ(v > D8 82 F5 28 76 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000017628F57A50, 16 bytes long.
Data: <°‚õ(v > B0 82 F5 28 76 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000017628F57230, 16 bytes long.
Data: < ‚õ(v > 88 82 F5 28 76 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000017628F57460, 16 bytes long.
Data: <`‚õ(v > 60 82 F5 28 76 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000017628F57960, 16 bytes long.
Data: <8‚õ(v > 38 82 F5 28 76 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000017628F57280, 16 bytes long.
Data: < ‚õ(v > 10 82 F5 28 76 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000017628F571E0, 16 bytes long.
Data: <0nõ(v > 30 6E F5 28 76 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000017628F56E30, 40 bytes long.
Data: <àqõ(v 0ÚÁ*v > E0 71 F5 28 76 01 00 00 30 DA C1 2A 76 01 00 00
{265} normal block at 0x0000017628F57FF0, 16 bytes long.
Data: <ð õ(v > F0 81 F5 28 76 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000017628F58090, 16 bytes long.
Data: <È õ(v > C8 81 F5 28 76 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000017628F50070, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x0000017628F57F50, 16 bytes long.
Data: <  õ(v > A0 81 F5 28 76 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000017628F581A0, 992 bytes long.
Data: <P õ(v p õ(v > 50 7F F5 28 76 01 00 00 70 00 F5 28 76 01 00 00
{97} normal block at 0x0000017628F50730, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x0000017628F4EEF0, 16 bytes long.
Data: <Påó(v > 50 E5 F3 28 76 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x0000017628F3E550, 40 bytes long.
Data: <ðîô(v 0 õ(v > F0 EE F4 28 76 01 00 00 30 07 F5 28 76 01 00 00
{74} normal block at 0x0000017628F4F7B0, 16 bytes long.
Data: < ê Íö > 80 EA 0E CD F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000017628F4EC70, 16 bytes long.
Data: <@é Íö > 40 E9 0E CD F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000017628F4ED60, 16 bytes long.
Data: <øW Íö > F8 57 0B CD F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000017628F4F5D0, 16 bytes long.
Data: <ØW Íö > D8 57 0B CD F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000017628F4ED10, 16 bytes long.
Data: <P Íö > 50 04 0B CD F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000017628F4F300, 16 bytes long.
Data: <0 Íö > 30 04 0B CD F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000017628F4F440, 16 bytes long.
Data: <à Íö > E0 02 0B CD F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000017628F4F030, 16 bytes long.
Data: < Íö > 10 04 0B CD F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000017628F4F620, 16 bytes long.
Data: <p Íö > 70 04 0B CD F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000017628F4EA40, 16 bytes long.
Data: < À Íö > 18 C0 09 CD F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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