Task 38682698
| Name | test_859-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND2317_0 |
| Workunit | 31624295 |
| Created | 27 Oct 2026, 8:43:22 UTC |
| Sent | 27 Oct 2026, 8:43:26 UTC |
| Report deadline | 1 Nov 2026, 8:43:26 UTC |
| Received | 27 Oct 2026, 12:02:40 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643112 |
| Run time | 58 min 57 sec |
| CPU time | 54 min 8 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 | 708.98 MB |
| Peak swap size | 14.40 GB |
| Peak disk usage | 3.84 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
12:27:20 (11484): wrapper (7.9.26016): starting
12:27:20 (11484): 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
12:27:22 (11484): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:27:22 (11484): 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\2\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\2\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) : {3841007} normal block at 0x00000286894F9620, 8 bytes long.
Data: < M > 00 00 4D 89 86 02 00 00
..\lib\diagnostics_win.cpp(417) : {3839791} normal block at 0x000002868B3D9C10, 1080 bytes long.
Data: < > BC AC 00 00 CD CD CD CD C4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000028689504640, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
12:33:30 (55068): wrapper (7.9.26016): starting
12:33:30 (55068): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\2\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 0x0000018AFB0E4560, 8 bytes long.
Data: < > 00 00 FE FA 8A 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x0000018AFB0E34B0, 1080 bytes long.
Data: <0 H > 30 85 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
13:11:21 (18280): wrapper (7.9.26016): starting
13:11:21 (18280): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\2\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 0x000001DB06E23F70, 8 bytes long.
Data: < > 00 00 D6 06 DB 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001DB06E24EE0, 1080 bytes long.
Data: < H > 90 B5 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
13:35:37 (30080): wrapper (7.9.26016): starting
13:35:37 (30080): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\2\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 0x000001F5B66340D0, 8 bytes long.
Data: < Z > 00 00 5A B6 F5 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001F5B6634DC0, 1080 bytes long.
Data: <H H > 48 E3 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
13:48:09 (46048): wrapper (7.9.26016): starting
13:48:09 (46048): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\2\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 0x000001FBCA2F4B80, 8 bytes long.
Data: < > 00 00 D0 CB FB 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001FBCA2F3DA0, 1080 bytes long.
Data: < L > F4 DE 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
14:04:17 (23004): wrapper (7.9.26016): starting
14:04:17 (23004): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\2\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 0x000001A84B393D40, 8 bytes long.
Data: < 4K > 00 00 34 4B A8 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001A84B3934B0, 1080 bytes long.
Data: < H > 98 9F 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
14:30:35 (42556): wrapper (7.9.26016): starting
14:30:35 (42556): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\2\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 0x0000025DD5544380, 8 bytes long.
Data: < ] > 00 00 05 D7 5D 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x0000025DD55434B0, 1080 bytes long.
Data: < L > A4 E6 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
14:50:22 (60444): wrapper (7.9.26016): starting
14:50:22 (60444): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\2\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 0x00000225ADB95140, 8 bytes long.
Data: < % > 00 00 AF AD 25 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x00000225ADB944A0, 1080 bytes long.
Data: < H > 84 B6 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
14:57:58 (57304): wrapper (7.9.26016): starting
14:57:58 (57304): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\2\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
15:01:40 (57304): C:/Windows/system32/cmd.exe exited; CPU time 175.234375
15:01:40 (57304): 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: 5681576 bytes.
Dumping objects ->
{1614} normal block at 0x0000029A430EDB50, 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 0x0000029A430ED920, 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 0x0000029A430EDA70, 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 0x0000029A430ED8B0, 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 0x0000029A430EDAE0, 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 0x0000029A430DC4A0, 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 0x0000029A430F6AD0, 8 bytes long.
Data: < C > 00 00 03 43 9A 02 00 00
{311} normal block at 0x0000029A430F5D10, 8 bytes long.
Data: < U C > 20 55 0F 43 9A 02 00 00
{302} normal block at 0x0000029A430EEDC0, 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 0x0000029A430F66C0, 16 bytes long.
Data: <hn C > 68 6E 0F 43 9A 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000029A430F6120, 16 bytes long.
Data: <@n C > 40 6E 0F 43 9A 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000029A430ECBE0, 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 0x0000029A430F6080, 16 bytes long.
Data: < n C > 18 6E 0F 43 9A 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000029A430F5EA0, 16 bytes long.
Data: < m C > F0 6D 0F 43 9A 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000029A430F65D0, 16 bytes long.
Data: < m C > C8 6D 0F 43 9A 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000029A430F5D60, 16 bytes long.
Data: < m C > A0 6D 0F 43 9A 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000029A430ED7D0, 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 0x0000029A430F6490, 16 bytes long.
Data: < C > C8 C7 0D 43 9A 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000029A430EC700, 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 0x0000029A430F5CC0, 16 bytes long.
Data: < C > A0 C7 0D 43 9A 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000029A430F5C70, 16 bytes long.
Data: <x C > 78 C7 0D 43 9A 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000029A430F6580, 16 bytes long.
Data: <P C > 50 C7 0D 43 9A 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000029A430F5BD0, 16 bytes long.
Data: <( C > 28 C7 0D 43 9A 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000029A430F6030, 16 bytes long.
Data: < C > 00 C7 0D 43 9A 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000029A430F5E00, 16 bytes long.
Data: < C > D8 C6 0D 43 9A 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000029A430ECD60, 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 0x0000029A430F69E0, 16 bytes long.
Data: < C > B0 C6 0D 43 9A 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000029A430DC6B0, 320 bytes long.
Data: < i C ` C > E0 69 0F 43 9A 02 00 00 60 CD 0E 43 9A 02 00 00
{281} normal block at 0x0000029A430F5C20, 16 bytes long.
Data: < m C > 80 6D 0F 43 9A 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000029A430F61C0, 16 bytes long.
Data: <Xm C > 58 6D 0F 43 9A 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000029A430ECFA0, 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 0x0000029A430F6350, 16 bytes long.
Data: <0m C > 30 6D 0F 43 9A 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000029A430ECCA0, 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 0x0000029A430F5F90, 16 bytes long.
Data: <xl C > 78 6C 0F 43 9A 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000029A430F60D0, 16 bytes long.
Data: <Pl C > 50 6C 0F 43 9A 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000029A430F5B80, 16 bytes long.
Data: <(l C > 28 6C 0F 43 9A 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000029A430F64E0, 16 bytes long.
Data: < l C > 00 6C 0F 43 9A 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000029A430F67B0, 16 bytes long.
Data: < k C > D8 6B 0F 43 9A 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000029A430F5FE0, 16 bytes long.
Data: < k C > B0 6B 0F 43 9A 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000029A430F6850, 16 bytes long.
Data: <0 C > 30 D5 0E 43 9A 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000029A430ED530, 40 bytes long.
Data: <Ph C C > 50 68 0F 43 9A 02 00 00 A0 C4 0D 43 9A 02 00 00
{267} normal block at 0x0000029A430F6800, 16 bytes long.
Data: < k C > 90 6B 0F 43 9A 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000029A430F6300, 16 bytes long.
Data: <hk C > 68 6B 0F 43 9A 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000029A430EC9A0, 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 0x0000029A430F5F40, 16 bytes long.
Data: <@k C > 40 6B 0F 43 9A 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000029A430F6B40, 992 bytes long.
Data: <@_ C C > 40 5F 0F 43 9A 02 00 00 A0 C9 0E 43 9A 02 00 00
{99} normal block at 0x0000029A430ED360, 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 0x0000029A430E8010, 16 bytes long.
Data: < C > 00 DA 0E 43 9A 02 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x0000029A430EDA00, 40 bytes long.
Data: < C ` C > 10 80 0E 43 9A 02 00 00 60 D3 0E 43 9A 02 00 00
{76} normal block at 0x0000029A430E7B60, 16 bytes long.
Data: < > 80 EA D1 D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000029A430E7840, 16 bytes long.
Data: <@ > 40 E9 D1 D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000029A430E7F20, 16 bytes long.
Data: < W > F8 57 CE D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000029A430E7D90, 16 bytes long.
Data: < W > D8 57 CE D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000029A430E8560, 16 bytes long.
Data: <P > 50 04 CE D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000029A430E7CA0, 16 bytes long.
Data: <0 > 30 04 CE D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000029A430E7700, 16 bytes long.
Data: < > E0 02 CE D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000029A430E77A0, 16 bytes long.
Data: < > 10 04 CE D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000029A430E7CF0, 16 bytes long.
Data: <p > 70 04 CE D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000029A430E8510, 16 bytes long.
Data: < > 18 C0 CC D6 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra