Task 38681609
| Name | test_390-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND4595_0 |
| Workunit | 31623269 |
| Created | 27 Oct 2026, 4:38:38 UTC |
| Sent | 27 Oct 2026, 4:38:47 UTC |
| Report deadline | 1 Nov 2026, 4:38:47 UTC |
| Received | 27 Oct 2026, 6:34:48 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 593978 |
| Run time | 43 min 16 sec |
| CPU time | 43 min 3 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 16,492.58 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 713.38 MB |
| Peak swap size | 12.91 GB |
| Peak disk usage | 3.11 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:43:21 (13620): wrapper (7.9.26016): starting
01:43:21 (13620): 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
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835136} normal block at 0x000001D6763565D0, 8 bytes long.
Data: < 3v > 00 00 33 76 D6 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833952} normal block at 0x000001D6780778C0, 1080 bytes long.
Data: < g > EC 67 00 00 CD CD CD CD 1C 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001D6763613D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
01:50:48 (21688): wrapper (7.9.26016): starting
01:50:48 (21688): 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
01:50:49 (21688): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:50:49 (21688): 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\36\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\36\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
02:34:03 (21688): C:/Windows/system32/cmd.exe exited; CPU time 2583.281250
02:34:03 (21688): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 45672106 bytes.
Dumping objects ->
{1573} normal block at 0x000001FAEE34C860, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1562} normal block at 0x000001FAEE34C7F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1551} normal block at 0x000001FAEE34CD30, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1540} normal block at 0x000001FAEE34C6A0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1529} normal block at 0x000001FAEE34CCC0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1498} normal block at 0x000001FAEE34C480, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1487} normal block at 0x000001FAEE34C3E0, 85 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) : {1484} normal block at 0x000001FAEE352BA0, 8 bytes long.
Data: < ( > 00 00 28 EE FA 01 00 00
{881} normal block at 0x000001FAEE33BB50, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{301} normal block at 0x000001FAEE352600, 8 bytes long.
Data: < 75 > 00 37 35 EE FA 01 00 00
{293} normal block at 0x000001FAEE335CE0, 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 0x000001FAEE352B50, 16 bytes long.
Data: < 65 > 08 36 35 EE FA 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001FAEE352010, 16 bytes long.
Data: < 55 > E0 35 35 EE FA 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001FAEE34D320, 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 0x000001FAEE352AB0, 16 bytes long.
Data: < 55 > B8 35 35 EE FA 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001FAEE352B00, 16 bytes long.
Data: < 55 > 90 35 35 EE FA 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001FAEE352290, 16 bytes long.
Data: <h55 > 68 35 35 EE FA 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001FAEE352E20, 16 bytes long.
Data: <@55 > 40 35 35 EE FA 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001FAEE34CC50, 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 0x000001FAEE352420, 16 bytes long.
Data: <x\3 > 78 5C 33 EE FA 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001FAEE34D7A0, 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 0x000001FAEE352970, 16 bytes long.
Data: <P\3 > 50 5C 33 EE FA 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FAEE3528D0, 16 bytes long.
Data: <(\3 > 28 5C 33 EE FA 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001FAEE3521F0, 16 bytes long.
Data: < \3 > 00 5C 33 EE FA 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001FAEE352560, 16 bytes long.
Data: < [3 > D8 5B 33 EE FA 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001FAEE352DD0, 16 bytes long.
Data: < [3 > B0 5B 33 EE FA 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001FAEE3521A0, 16 bytes long.
Data: < [3 > 88 5B 33 EE FA 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001FAEE34D620, 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 0x000001FAEE352470, 16 bytes long.
Data: <`[3 > 60 5B 33 EE FA 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001FAEE335B60, 320 bytes long.
Data: <p$5 4 > 70 24 35 EE FA 01 00 00 20 D6 34 EE FA 01 00 00
{272} normal block at 0x000001FAEE352A60, 16 bytes long.
Data: < 55 > 20 35 35 EE FA 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001FAEE352D30, 16 bytes long.
Data: < 45 > F8 34 35 EE FA 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001FAEE34D1A0, 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 0x000001FAEE352880, 16 bytes long.
Data: < 45 > D0 34 35 EE FA 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001FAEE34DCE0, 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 0x000001FAEE352830, 16 bytes long.
Data: < 45 > 18 34 35 EE FA 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FAEE3527E0, 16 bytes long.
Data: < 35 > F0 33 35 EE FA 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001FAEE351F70, 16 bytes long.
Data: < 35 > C8 33 35 EE FA 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001FAEE3522E0, 16 bytes long.
Data: < 35 > A0 33 35 EE FA 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001FAEE352650, 16 bytes long.
Data: <x35 > 78 33 35 EE FA 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001FAEE3523D0, 16 bytes long.
Data: <P35 > 50 33 35 EE FA 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001FAEE3520B0, 16 bytes long.
Data: < 4 > 20 CA 34 EE FA 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001FAEE34CA20, 40 bytes long.
Data: < 5 4 > B0 20 35 EE FA 01 00 00 80 C4 34 EE FA 01 00 00
{258} normal block at 0x000001FAEE352CE0, 16 bytes long.
Data: <035 > 30 33 35 EE FA 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001FAEE352790, 16 bytes long.
Data: < 35 > 08 33 35 EE FA 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001FAEE34D440, 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 0x000001FAEE352150, 16 bytes long.
Data: < 25 > E0 32 35 EE FA 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001FAEE3532E0, 992 bytes long.
Data: <P!5 @ 4 > 50 21 35 EE FA 01 00 00 40 D4 34 EE FA 01 00 00
{90} normal block at 0x000001FAEE34DC80, 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 0x000001FAEE3466B0, 16 bytes long.
Data: < 4 > E0 CB 34 EE FA 01 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x000001FAEE34CBE0, 40 bytes long.
Data: < f4 4 > B0 66 34 EE FA 01 00 00 80 DC 34 EE FA 01 00 00
{67} normal block at 0x000001FAEE346A70, 16 bytes long.
Data: < > 80 EA D9 DA F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001FAEE346FC0, 16 bytes long.
Data: <@ > 40 E9 D9 DA F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001FAEE346D40, 16 bytes long.
Data: < W > F8 57 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001FAEE3468E0, 16 bytes long.
Data: < W > D8 57 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001FAEE346CA0, 16 bytes long.
Data: <P > 50 04 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001FAEE346890, 16 bytes long.
Data: <0 > 30 04 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001FAEE3463E0, 16 bytes long.
Data: < > E0 02 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001FAEE3469D0, 16 bytes long.
Data: < > 10 04 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001FAEE346F20, 16 bytes long.
Data: <p > 70 04 D6 DA F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001FAEE347060, 16 bytes long.
Data: < > 18 C0 D4 DA F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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