Task 38675554
| Name | test_905-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND0235_0 |
| Workunit | 31617519 |
| Created | 26 Oct 2026, 8:37:42 UTC |
| Sent | 26 Oct 2026, 8:37:48 UTC |
| Report deadline | 31 Oct 2026, 8:37:48 UTC |
| Received | 27 Oct 2026, 9:31:56 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653921 |
| Run time | 1 hours 19 min 46 sec |
| CPU time | 1 hours 19 min 46 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,101.86 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 674.78 MB |
| Peak swap size | 6.83 GB |
| Peak disk usage | 1.57 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:52:14 (36940): wrapper (7.9.26016): starting
13:52:14 (36940): 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
15:34:24 (36940): Library/usr/bin/tar.exe exited; CPU time 0.078125
15:34:24 (36940): 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\0\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\0\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) : {3835089} normal block at 0x00000157417A71D0, 8 bytes long.
Data: < sAW > 00 00 73 41 57 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833948} normal block at 0x000001574337C6A0, 1080 bytes long.
Data: <PV 0 > 50 56 00 00 CD CD CD CD 30 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001574178A910, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
10:16:33 (41560): wrapper (7.9.26016): starting
10:16:33 (41560): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\0\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
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1440} normal block at 0x000001DD98EE7890, 8 bytes long.
Data: < > 00 00 E7 98 DD 01 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x000001DD98EE7B30, 1080 bytes long.
Data: < > 10 0B 00 00 CD CD CD CD 10 02 00 00 00 00 00 00
Object dump complete.
13:35:11 (8552): wrapper (7.9.26016): starting
13:35:11 (8552): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\0\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) : {1440} normal block at 0x000001988880CAD0, 8 bytes long.
Data: < { > 00 00 7B 88 98 01 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x000001988880AC20, 1080 bytes long.
Data: <4Q 0 > 34 51 00 00 CD CD CD CD 30 02 00 00 00 00 00 00
Object dump complete.
13:38:53 (9040): wrapper (7.9.26016): starting
13:38:53 (9040): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\0\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
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1440} normal block at 0x000001CE73039540, 8 bytes long.
Data: < s > 00 00 00 73 CE 01 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x000001CE730396F0, 1080 bytes long.
Data: < R > 04 52 00 00 CD CD CD CD 08 02 00 00 00 00 00 00
Object dump complete.
14:00:26 (11228): wrapper (7.9.26016): starting
14:00:26 (11228): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\0\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
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1440} normal block at 0x00000199F0E4A890, 8 bytes long.
Data: < > 00 00 E1 F0 99 01 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x00000199F0E4ADB0, 1080 bytes long.
Data: < H > AC 48 00 00 CD CD CD CD 0C 02 00 00 00 00 00 00
Object dump complete.
14:10:45 (21592): wrapper (7.9.26016): starting
14:10:45 (21592): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\0\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) : {1440} normal block at 0x000001BEFCA49F30, 8 bytes long.
Data: < , > 00 00 2C FE BE 01 00 00
..\lib\diagnostics_win.cpp(417) : {299} normal block at 0x000001BEFCA4ADB0, 1080 bytes long.
Data: < ; > 18 3B 00 00 CD CD CD CD 10 02 00 00 00 00 00 00
Object dump complete.
14:29:22 (18940): wrapper (7.9.26016): starting
14:29:22 (18940): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\0\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
14:30:29 (18940): C:/Windows/system32/cmd.exe exited; CPU time 48.765625
14:30:29 (18940): 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: 1066014 bytes.
Dumping objects ->
{1528} normal block at 0x000002A1E0EC26F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1517} normal block at 0x000002A1E0EC2610, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1506} normal block at 0x000002A1E0EC25A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1495} normal block at 0x000002A1E0EC2530, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1484} normal block at 0x000002A1E0EC23E0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1453} normal block at 0x000002A1E0EAC1B0, 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) : {1440} normal block at 0x000002A1E0EC8A10, 8 bytes long.
Data: < > 00 00 E5 E0 A1 02 00 00
{300} normal block at 0x000002A1E0EC8420, 8 bytes long.
Data: < > 00 8D EC E0 A1 02 00 00
{291} normal block at 0x000002A1E0EA5610, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x000002A1E0EC83D0, 16 bytes long.
Data: < { > F8 7B EC E0 A1 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002A1E0EC8C40, 16 bytes long.
Data: < { > D0 7B EC E0 A1 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002A1E0EB9860, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x000002A1E0EC7F20, 16 bytes long.
Data: < { > A8 7B EC E0 A1 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002A1E0EC45F0, 16 bytes long.
Data: < { > 80 7B EC E0 A1 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002A1E0EC43C0, 16 bytes long.
Data: <X{ > 58 7B EC E0 A1 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002A1E0EC4230, 16 bytes long.
Data: <0{ > 30 7B EC E0 A1 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002A1E0EC2450, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x000002A1E0EC41E0, 16 bytes long.
Data: <H > 48 C1 EA E0 A1 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002A1E0EB9CE0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x000002A1E0EC4DC0, 16 bytes long.
Data: < > 20 C1 EA E0 A1 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002A1E0EC45A0, 16 bytes long.
Data: < > F8 C0 EA E0 A1 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002A1E0EC4190, 16 bytes long.
Data: < > D0 C0 EA E0 A1 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002A1E0EC4D70, 16 bytes long.
Data: < > A8 C0 EA E0 A1 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002A1E0EC4AF0, 16 bytes long.
Data: < > 80 C0 EA E0 A1 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002A1E0EC4370, 16 bytes long.
Data: <X > 58 C0 EA E0 A1 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002A1E0EB96E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x000002A1E0EC4A00, 16 bytes long.
Data: <0 > 30 C0 EA E0 A1 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002A1E0EAC030, 320 bytes long.
Data: < J > 00 4A EC E0 A1 02 00 00 E0 96 EB E0 A1 02 00 00
{270} normal block at 0x000002A1E0EC4140, 16 bytes long.
Data: < { > 10 7B EC E0 A1 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002A1E0EC4F00, 16 bytes long.
Data: < z > E8 7A EC E0 A1 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002A1E0EB9620, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x000002A1E0EC4C30, 16 bytes long.
Data: < z > C0 7A EC E0 A1 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002A1E0EB9FE0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x000002A1E0EC40A0, 16 bytes long.
Data: < z > 08 7A EC E0 A1 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002A1E0EC4050, 16 bytes long.
Data: < y > E0 79 EC E0 A1 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002A1E0EC4D20, 16 bytes long.
Data: < y > B8 79 EC E0 A1 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002A1E0EC4BE0, 16 bytes long.
Data: < y > 90 79 EC E0 A1 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002A1E0EC4A50, 16 bytes long.
Data: <hy > 68 79 EC E0 A1 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002A1E0EC48C0, 16 bytes long.
Data: <@y > 40 79 EC E0 A1 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002A1E0EC4320, 16 bytes long.
Data: < ' > D0 27 EC E0 A1 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002A1E0EC27D0, 40 bytes long.
Data: < C > 20 43 EC E0 A1 02 00 00 B0 C1 EA E0 A1 02 00 00
{256} normal block at 0x000002A1E0EC4870, 16 bytes long.
Data: < y > 20 79 EC E0 A1 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002A1E0EC4690, 16 bytes long.
Data: < x > F8 78 EC E0 A1 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000002A1E0EB9EC0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x000002A1E0EC4820, 16 bytes long.
Data: < x > D0 78 EC E0 A1 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000002A1E0EC78D0, 992 bytes long.
Data: < H > 20 48 EC E0 A1 02 00 00 C0 9E EB E0 A1 02 00 00
{88} normal block at 0x000002A1E0EB97A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x000002A1E0EC4C80, 16 bytes long.
Data: < & > 80 26 EC E0 A1 02 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x000002A1E0EC2680, 40 bytes long.
Data: < L > 80 4C EC E0 A1 02 00 00 A0 97 EB E0 A1 02 00 00
{65} normal block at 0x000002A1E0EC4410, 16 bytes long.
Data: < > 80 EA D0 08 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002A1E0EC47D0, 16 bytes long.
Data: <@ > 40 E9 D0 08 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002A1E0EC4550, 16 bytes long.
Data: < W > F8 57 CD 08 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002A1E0EC4B40, 16 bytes long.
Data: < W > D8 57 CD 08 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002A1E0EB8070, 16 bytes long.
Data: <P > 50 04 CD 08 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002A1E0EB7AD0, 16 bytes long.
Data: <0 > 30 04 CD 08 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002A1E0EB8020, 16 bytes long.
Data: < > E0 02 CD 08 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002A1E0EB8110, 16 bytes long.
Data: < > 10 04 CD 08 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002A1E0EB7A80, 16 bytes long.
Data: <p > 70 04 CD 08 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000002A1E0EB7FD0, 16 bytes long.
Data: < > 18 C0 CB 08 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra