Task 38665639
| Name | test_703-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND2281_0 |
| Workunit | 31608719 |
| Created | 25 Oct 2026, 1:20:32 UTC |
| Sent | 25 Oct 2026, 1:40:58 UTC |
| Report deadline | 30 Oct 2026, 1:40:58 UTC |
| Received | 25 Oct 2026, 20:48:38 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651032 |
| Run time | 13 hours 42 min 24 sec |
| CPU time | 12 hours 29 min 4 sec |
| Validate state | Valid |
| Credit | 600,000.00 |
| Device peak FLOPS | 2,503.42 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 705.51 MB |
| Peak swap size | 6.72 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:04:13 (28144): wrapper (7.9.26016): starting
07:04:13 (28144): 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
07:04:16 (28144): Library/usr/bin/tar.exe exited; CPU time 0.015625
07:04:16 (28144): 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 'D:\BOINC\slots\16\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 'D:\BOINC\slots\16\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) : {3835449} normal block at 0x0000023BC9E2E8E0, 8 bytes long.
Data: < - ; > 00 00 2D CA 3B 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833970} normal block at 0x0000023BCBBC74B0, 1080 bytes long.
Data: < U > B0 55 00 00 CD CD CD CD C0 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000023BC9E2F7B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
09:03:06 (22544): wrapper (7.9.26016): starting
09:03:06 (22544): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ya existe el subdirectorio o el archivo D:\BOINC\slots\16\tmp.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1789} normal block at 0x000001B4C7A886E0, 8 bytes long.
Data: < > 00 00 E0 C7 B4 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001B4C7A89710, 1080 bytes long.
Data: < . > 18 2E 00 00 CD CD CD CD DC 00 00 00 00 00 00 00
Object dump complete.
17:04:11 (9336): wrapper (7.9.26016): starting
17:04:11 (9336): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ya existe el subdirectorio o el archivo D:\BOINC\slots\16\tmp.
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
21:48:13 (9336): C:/Windows/system32/cmd.exe exited; CPU time 15556.000000
21:48:13 (9336): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 433481215 bytes.
Dumping objects ->
{1878} normal block at 0x0000013BB6597AE0, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{1867} normal block at 0x0000013BB6591220, 32 bytes long.
Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{1856} normal block at 0x0000013BB65918E0, 32 bytes long.
Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{1845} normal block at 0x0000013BB6591040, 32 bytes long.
Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{1834} normal block at 0x0000013BB6591280, 32 bytes long.
Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C
{1803} normal block at 0x0000013BB6597920, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{1792} normal block at 0x0000013BB657F920, 140 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) : {1789} normal block at 0x0000013BB65969D0, 8 bytes long.
Data: < V ; > 00 00 56 B6 3B 01 00 00
{1046} normal block at 0x0000013BB657CBF0, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{311} normal block at 0x0000013BB65963E0, 8 bytes long.
Data: < |Y ; > F0 7C 59 B6 3B 01 00 00
{302} normal block at 0x0000013BB6586FD0, 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 0x0000013BB6596570, 16 bytes long.
Data: < sY ; > E8 73 59 B6 3B 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000013BB6596980, 16 bytes long.
Data: < sY ; > C0 73 59 B6 3B 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000013BB6591460, 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 0x0000013BB6596930, 16 bytes long.
Data: < sY ; > 98 73 59 B6 3B 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000013BB6595DF0, 16 bytes long.
Data: <psY ; > 70 73 59 B6 3B 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000013BB65965C0, 16 bytes long.
Data: <HsY ; > 48 73 59 B6 3B 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000013BB6596BB0, 16 bytes long.
Data: < sY ; > 20 73 59 B6 3B 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000013BB65977D0, 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 0x0000013BB6595F80, 16 bytes long.
Data: < W ; > A8 FD 57 B6 3B 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000013BB6591B20, 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 0x0000013BB6595FD0, 16 bytes long.
Data: < W ; > 80 FD 57 B6 3B 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000013BB6595D00, 16 bytes long.
Data: <X W ; > 58 FD 57 B6 3B 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000013BB6596020, 16 bytes long.
Data: <0 W ; > 30 FD 57 B6 3B 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000013BB65962A0, 16 bytes long.
Data: < W ; > 08 FD 57 B6 3B 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000013BB6596200, 16 bytes long.
Data: < W ; > E0 FC 57 B6 3B 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000013BB6595F30, 16 bytes long.
Data: < W ; > B8 FC 57 B6 3B 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000013BB65916A0, 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 0x0000013BB65968E0, 16 bytes long.
Data: < W ; > 90 FC 57 B6 3B 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000013BB657FC90, 320 bytes long.
Data: < hY ; Y ; > E0 68 59 B6 3B 01 00 00 A0 16 59 B6 3B 01 00 00
{281} normal block at 0x0000013BB6595DA0, 16 bytes long.
Data: < sY ; > 00 73 59 B6 3B 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000013BB6596520, 16 bytes long.
Data: < rY ; > D8 72 59 B6 3B 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000013BB65915E0, 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 0x0000013BB65964D0, 16 bytes long.
Data: < rY ; > B0 72 59 B6 3B 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000013BB6591BE0, 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 0x0000013BB6596840, 16 bytes long.
Data: < qY ; > F8 71 59 B6 3B 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000013BB65967F0, 16 bytes long.
Data: < qY ; > D0 71 59 B6 3B 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000013BB65967A0, 16 bytes long.
Data: < qY ; > A8 71 59 B6 3B 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000013BB6596160, 16 bytes long.
Data: < qY ; > 80 71 59 B6 3B 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000013BB6595D50, 16 bytes long.
Data: <XqY ; > 58 71 59 B6 3B 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000013BB6596750, 16 bytes long.
Data: <0qY ; > 30 71 59 B6 3B 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000013BB6596B60, 16 bytes long.
Data: < W ; > 20 DE 57 B6 3B 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000013BB657DE20, 40 bytes long.
Data: <`kY ; yY ; > 60 6B 59 B6 3B 01 00 00 20 79 59 B6 3B 01 00 00
{267} normal block at 0x0000013BB6596890, 16 bytes long.
Data: < qY ; > 10 71 59 B6 3B 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000013BB6596700, 16 bytes long.
Data: < pY ; > E8 70 59 B6 3B 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000013BB6590FE0, 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 0x0000013BB6596110, 16 bytes long.
Data: < pY ; > C0 70 59 B6 3B 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000013BB65970C0, 992 bytes long.
Data: < aY ; Y ; > 10 61 59 B6 3B 01 00 00 E0 0F 59 B6 3B 01 00 00
{99} normal block at 0x0000013BB6590EC0, 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 0x0000013BB658EA70, 16 bytes long.
Data: < W ; > 80 E7 57 B6 3B 01 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x0000013BB657E780, 40 bytes long.
Data: <p X ; Y ; > 70 EA 58 B6 3B 01 00 00 C0 0E 59 B6 3B 01 00 00
{76} normal block at 0x0000013BB658E980, 16 bytes long.
Data: < b > 80 EA 62 B9 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000013BB658E660, 16 bytes long.
Data: <@ b > 40 E9 62 B9 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000013BB658ED40, 16 bytes long.
Data: < W_ > F8 57 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000013BB658EBB0, 16 bytes long.
Data: < W_ > D8 57 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000013BB658EE80, 16 bytes long.
Data: <P _ > 50 04 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000013BB658ECF0, 16 bytes long.
Data: <0 _ > 30 04 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000013BB658E6B0, 16 bytes long.
Data: < _ > E0 02 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000013BB658E2A0, 16 bytes long.
Data: < _ > 10 04 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000013BB658ECA0, 16 bytes long.
Data: <p _ > 70 04 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000013BB658EB60, 16 bytes long.
Data: < ] > 18 C0 5D B9 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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