Task 38689100
| Name | test_37-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND3892_0 |
| Workunit | 31630376 |
| Created | 28 Oct 2026, 18:19:58 UTC |
| Sent | 28 Oct 2026, 18:20:02 UTC |
| Report deadline | 2 Nov 2026, 18:20:02 UTC |
| Received | 28 Oct 2026, 23:04:19 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643112 |
| Run time | 57 min 56 sec |
| CPU time | 55 min 26 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 13,171.24 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 717.48 MB |
| Peak swap size | 14.40 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
23:28:17 (81512): wrapper (7.9.26016): starting
23:28:17 (81512): 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
23:28:19 (81512): Library/usr/bin/tar.exe exited; CPU time 0.046875
23:28:19 (81512): 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\3\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\3\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) : {3835186} normal block at 0x000002777D0597B0, 8 bytes long.
Data: < |w > 00 00 FE 7C 77 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833970} normal block at 0x000002777EF953F0, 1080 bytes long.
Data: <p$ | > 70 24 01 00 CD CD CD CD 7C 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000002777D064280, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
00:18:58 (94624): wrapper (7.9.26016): starting
00:18:58 (94624): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\3\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1526} normal block at 0x000001A042985950, 8 bytes long.
Data: < B > 00 00 89 42 A0 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001A0429865B0, 1080 bytes long.
Data: <pi P > 70 69 01 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
01:20:26 (99344): wrapper (7.9.26016): starting
01:20:26 (99344): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\3\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1526} normal block at 0x000001AFE1F84550, 8 bytes long.
Data: < > 00 00 A7 E3 AF 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001AFE1F85240, 1080 bytes long.
Data: <@ 0 > 40 0C 00 00 CD CD CD CD 30 01 00 00 00 00 00 00
Object dump complete.
01:28:29 (65720): wrapper (7.9.26016): starting
01:28:29 (65720): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\3\tmp 㦥 áãé¥áâ¢ã¥â.
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
02:03:22 (65720): C:/Windows/system32/cmd.exe exited; CPU time 2027.281250
02:03:22 (65720): 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: 66428148 bytes.
Dumping objects ->
{1614} normal block at 0x000002E249CED2A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1603} normal block at 0x000002E249CED230, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1592} normal block at 0x000002E249CED930, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1581} normal block at 0x000002E249CED8C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1570} normal block at 0x000002E249CED770, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1539} normal block at 0x000002E249CDC320, 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) : {1526} normal block at 0x000002E249CF37C0, 8 bytes long.
Data: < I > 00 00 C4 49 E2 02 00 00
{311} normal block at 0x000002E249CF3770, 8 bytes long.
Data: < M I > C0 4D CF 49 E2 02 00 00
{302} normal block at 0x000002E249CDD530, 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 0x000002E249CF3EA0, 16 bytes long.
Data: < L I > C8 4C CF 49 E2 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000002E249CF3950, 16 bytes long.
Data: < L I > A0 4C CF 49 E2 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002E249CECA60, 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 0x000002E249CF4120, 16 bytes long.
Data: <xL I > 78 4C CF 49 E2 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002E249CF40D0, 16 bytes long.
Data: <PL I > 50 4C CF 49 E2 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002E249CF3EF0, 16 bytes long.
Data: <(L I > 28 4C CF 49 E2 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002E249CF3DB0, 16 bytes long.
Data: < L I > 00 4C CF 49 E2 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002E249CED700, 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 0x000002E249CF3720, 16 bytes long.
Data: <( I > 28 C7 CD 49 E2 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002E249CEC3A0, 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 0x000002E249CF36D0, 16 bytes long.
Data: < I > 00 C7 CD 49 E2 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002E249CF3680, 16 bytes long.
Data: < I > D8 C6 CD 49 E2 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002E249CF4530, 16 bytes long.
Data: < I > B0 C6 CD 49 E2 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002E249CF3D60, 16 bytes long.
Data: < I > 88 C6 CD 49 E2 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002E249CF3D10, 16 bytes long.
Data: <` I > 60 C6 CD 49 E2 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002E249CF35E0, 16 bytes long.
Data: <8 I > 38 C6 CD 49 E2 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002E249CED0C0, 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 0x000002E249CF44E0, 16 bytes long.
Data: < I > 10 C6 CD 49 E2 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002E249CDC610, 320 bytes long.
Data: < D I I > E0 44 CF 49 E2 02 00 00 C0 D0 CE 49 E2 02 00 00
{281} normal block at 0x000002E249CF4350, 16 bytes long.
Data: < K I > E0 4B CF 49 E2 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002E249CF3630, 16 bytes long.
Data: < K I > B8 4B CF 49 E2 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002E249CECF40, 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 0x000002E249CF3E50, 16 bytes long.
Data: < K I > 90 4B CF 49 E2 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002E249CEC9A0, 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 0x000002E249CF41C0, 16 bytes long.
Data: < J I > D8 4A CF 49 E2 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002E249CF3AE0, 16 bytes long.
Data: < J I > B0 4A CF 49 E2 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002E249CF3BD0, 16 bytes long.
Data: < J I > 88 4A CF 49 E2 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002E249CF4490, 16 bytes long.
Data: <`J I > 60 4A CF 49 E2 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002E249CF3F90, 16 bytes long.
Data: <8J I > 38 4A CF 49 E2 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002E249CF3F40, 16 bytes long.
Data: < J I > 10 4A CF 49 E2 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002E249CF4440, 16 bytes long.
Data: <` I > 60 D4 CE 49 E2 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002E249CED460, 40 bytes long.
Data: <@D I I > 40 44 CF 49 E2 02 00 00 20 C3 CD 49 E2 02 00 00
{267} normal block at 0x000002E249CF3A90, 16 bytes long.
Data: < I I > F0 49 CF 49 E2 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002E249CF38B0, 16 bytes long.
Data: < I I > C8 49 CF 49 E2 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002E249CED000, 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 0x000002E249CF43A0, 16 bytes long.
Data: < I I > A0 49 CF 49 E2 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002E249CF49A0, 992 bytes long.
Data: < C I I > A0 43 CF 49 E2 02 00 00 00 D0 CE 49 E2 02 00 00
{99} normal block at 0x000002E249CED060, 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 0x000002E249CE81B0, 16 bytes long.
Data: < I > E0 D7 CE 49 E2 02 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x000002E249CED7E0, 40 bytes long.
Data: < I ` I > B0 81 CE 49 E2 02 00 00 60 D0 CE 49 E2 02 00 00
{76} normal block at 0x000002E249CE7A30, 16 bytes long.
Data: < > 80 EA DC 1C F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000002E249CE8160, 16 bytes long.
Data: <@ > 40 E9 DC 1C F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000002E249CE8110, 16 bytes long.
Data: < W > F8 57 D9 1C F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002E249CE7C10, 16 bytes long.
Data: < W > D8 57 D9 1C F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002E249CE7620, 16 bytes long.
Data: <P > 50 04 D9 1C F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002E249CE76C0, 16 bytes long.
Data: <0 > 30 04 D9 1C F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002E249CE8020, 16 bytes long.
Data: < > E0 02 D9 1C F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002E249CE7850, 16 bytes long.
Data: < > 10 04 D9 1C F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002E249CE7F80, 16 bytes long.
Data: <p > 70 04 D9 1C F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002E249CE7580, 16 bytes long.
Data: < > 18 C0 D7 1C F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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