Task 38677315
| Name | test_292-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND3097_0 |
| Workunit | 31619194 |
| Created | 26 Oct 2026, 13:56:46 UTC |
| Sent | 26 Oct 2026, 13:57:01 UTC |
| Report deadline | 31 Oct 2026, 13:57:01 UTC |
| Received | 26 Oct 2026, 16:07:58 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 641542 |
| Run time | 1 hours 17 min 58 sec |
| CPU time | 1 hours 15 min 41 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 13,827.62 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 705.75 MB |
| Peak swap size | 6.86 GB |
| Peak disk usage | 3.93 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
14:19:13 (4520): wrapper (7.9.26016): starting
14:19:13 (4520): 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
14:19:16 (4520): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:19:16 (4520): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
'DOSKEY' is not recognized as an internal or external command,
operable program or batch file.
WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\5\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\5\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835455} normal block at 0x000001FB4EEDFD40, 8 bytes long.
Data: < O > 00 00 20 4F FB 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833970} normal block at 0x000001FB4EF0B0D0, 1080 bytes long.
Data: <04 8 > 30 34 00 00 CD CD CD CD 38 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001FB4EEE3760, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
14:40:53 (2020): wrapper (7.9.26016): starting
14:40:53 (2020): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
'DOSKEY' is not recognized as an internal or external command,
operable program or batch file.
A subdirectory or file C:\ProgramData\BOINC\slots\5\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1795} normal block at 0x000002812CAB6130, 8 bytes long.
Data: < - > 00 00 0A 2D 81 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000002812CAB72E0, 1080 bytes long.
Data: < > 8C 15 00 00 CD CD CD CD B4 00 00 00 00 00 00 00
Object dump complete.
14:56:24 (21912): wrapper (7.9.26016): starting
14:56:24 (21912): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
'DOSKEY' is not recognized as an internal or external command,
operable program or batch file.
A subdirectory or file C:\ProgramData\BOINC\slots\5\tmp already exists.
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
16:07:32 (21912): C:/Windows/system32/cmd.exe exited; CPU time 4251.109375
16:07:32 (21912): 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: 67864432 bytes.
Dumping objects ->
{1883} normal block at 0x000002A647C759F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1872} normal block at 0x000002A647C756E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1861} normal block at 0x000002A647C75910, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1850} normal block at 0x000002A647C75980, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1839} normal block at 0x000002A647C75670, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1808} normal block at 0x000002A647C5F8C0, 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) : {1795} normal block at 0x000002A647C76B30, 8 bytes long.
Data: < G > 00 00 C4 47 A6 02 00 00
{311} normal block at 0x000002A647C76040, 8 bytes long.
Data: < r G > E0 72 C7 47 A6 02 00 00
{302} normal block at 0x000002A647C67220, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x000002A647C76220, 16 bytes long.
Data: < q G > E8 71 C7 47 A6 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000002A647C75FF0, 16 bytes long.
Data: < q G > C0 71 C7 47 A6 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002A647C70340, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x000002A647C765E0, 16 bytes long.
Data: < q G > 98 71 C7 47 A6 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002A647C76590, 16 bytes long.
Data: <pq G > 70 71 C7 47 A6 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002A647C76400, 16 bytes long.
Data: <Hq G > 48 71 C7 47 A6 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002A647C76180, 16 bytes long.
Data: < q G > 20 71 C7 47 A6 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002A647C75600, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x000002A647C76C20, 16 bytes long.
Data: <8 G > 38 04 C6 47 A6 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002A647C70100, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x000002A647C76BD0, 16 bytes long.
Data: < G > 10 04 C6 47 A6 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002A647C75F00, 16 bytes long.
Data: < G > E8 03 C6 47 A6 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002A647C76680, 16 bytes long.
Data: < G > C0 03 C6 47 A6 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002A647C76900, 16 bytes long.
Data: < G > 98 03 C6 47 A6 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002A647C769F0, 16 bytes long.
Data: <p G > 70 03 C6 47 A6 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002A647C75FA0, 16 bytes long.
Data: <H G > 48 03 C6 47 A6 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002A647C70280, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x000002A647C768B0, 16 bytes long.
Data: < G > 20 03 C6 47 A6 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002A647C60320, 320 bytes long.
Data: < h G G > B0 68 C7 47 A6 02 00 00 80 02 C7 47 A6 02 00 00
{281} normal block at 0x000002A647C763B0, 16 bytes long.
Data: < q G > 00 71 C7 47 A6 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002A647C76310, 16 bytes long.
Data: < p G > D8 70 C7 47 A6 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002A647C700A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x000002A647C76AE0, 16 bytes long.
Data: < p G > B0 70 C7 47 A6 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002A647C701C0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x000002A647C76360, 16 bytes long.
Data: < o G > F8 6F C7 47 A6 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002A647C76450, 16 bytes long.
Data: < o G > D0 6F C7 47 A6 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002A647C76270, 16 bytes long.
Data: < o G > A8 6F C7 47 A6 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002A647C769A0, 16 bytes long.
Data: < o G > 80 6F C7 47 A6 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002A647C75F50, 16 bytes long.
Data: <Xo G > 58 6F C7 47 A6 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002A647C764F0, 16 bytes long.
Data: <0o G > 30 6F C7 47 A6 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002A647C76090, 16 bytes long.
Data: < S G > D0 53 C7 47 A6 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002A647C753D0, 40 bytes long.
Data: < ` G G > 90 60 C7 47 A6 02 00 00 C0 F8 C5 47 A6 02 00 00
{267} normal block at 0x000002A647C76A90, 16 bytes long.
Data: < o G > 10 6F C7 47 A6 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002A647C76720, 16 bytes long.
Data: < n G > E8 6E C7 47 A6 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002A647C70760, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x000002A647C76CC0, 16 bytes long.
Data: < n G > C0 6E C7 47 A6 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002A647C76EC0, 992 bytes long.
Data: < l G ` G > C0 6C C7 47 A6 02 00 00 60 07 C7 47 A6 02 00 00
{99} normal block at 0x000002A647C70400, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x000002A647C6E840, 16 bytes long.
Data: < G > 10 EB C5 47 A6 02 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x000002A647C5EB10, 40 bytes long.
Data: <@ G G > 40 E8 C6 47 A6 02 00 00 00 04 C7 47 A6 02 00 00
{76} normal block at 0x000002A647C6E390, 16 bytes long.
Data: < 4 > 80 EA 93 34 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000002A647C6DA30, 16 bytes long.
Data: <@ 4 > 40 E9 93 34 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000002A647C6DE40, 16 bytes long.
Data: < W 4 > F8 57 90 34 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002A647C6DDF0, 16 bytes long.
Data: < W 4 > D8 57 90 34 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002A647C6E480, 16 bytes long.
Data: <P 4 > 50 04 90 34 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002A647C6E610, 16 bytes long.
Data: <0 4 > 30 04 90 34 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002A647C6D990, 16 bytes long.
Data: < 4 > E0 02 90 34 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002A647C6E660, 16 bytes long.
Data: < 4 > 10 04 90 34 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002A647C6DEE0, 16 bytes long.
Data: <p 4 > 70 04 90 34 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002A647C6E750, 16 bytes long.
Data: < 4 > 18 C0 8E 34 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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