Task 38662608
| Name | test_949-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND8305_0 |
| Workunit | 31605857 |
| Created | 24 Oct 2026, 19:54:19 UTC |
| Sent | 24 Oct 2026, 19:54:27 UTC |
| Report deadline | 29 Oct 2026, 19:54:27 UTC |
| Received | 24 Oct 2026, 22:56:36 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 637827 |
| Run time | 46 min 30 sec |
| CPU time | 44 min 28 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,073.70 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 651.46 MB |
| Peak swap size | 5.26 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:24:16 (23316): wrapper (7.9.26016): starting
23:24:16 (23316): 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
23:24:17 (23316): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:24:17 (23316): 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_Projects\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 'D:\BOINC_Projects\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) : {3835153} normal block at 0x000001D8E4237B10, 8 bytes long.
Data: < > 00 00 B4 E5 D8 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833952} normal block at 0x000001D8E5EA6700, 1080 bytes long.
Data: < I > C4 49 00 00 CD CD CD CD 80 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001D8E4241CA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
01:07:49 (15060): wrapper (7.9.26016): starting
01:07:49 (15060): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Projects\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1502} normal block at 0x000001F21A452CB0, 8 bytes long.
Data: < > 00 00 DD 1B F2 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001F21A454260, 1080 bytes long.
Data: < J L > D0 4A 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
01:14:51 (4484): wrapper (7.9.26016): starting
01:14:51 (4484): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Projects\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1502} normal block at 0x000002E5EFF62C80, 8 bytes long.
Data: < > 00 00 F3 EF E5 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000002E5EFF64280, 1080 bytes long.
Data: <<J P > 3C 4A 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
01:18:52 (15512): wrapper (7.9.26016): starting
01:18:52 (15512): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\BOINC_Projects\slots\0\tmp already exists.
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
01:54:08 (15512): C:/Windows/system32/cmd.exe exited; CPU time 2081.093750
01:54:08 (15512): called boinc_finish(0)
0 bytes in 0 Free Blocks.
192 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: 33104131 bytes.
Dumping objects ->
{1590} normal block at 0x0000021BC322FCC0, 48 bytes long.
Data: <PATH=D:\BOINC_Pr> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72
{1579} normal block at 0x0000021BC3230F80, 32 bytes long.
Data: <HOME=D:\BOINC_Pr> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72
{1568} normal block at 0x0000021BC32318E0, 32 bytes long.
Data: <TMP=D:\BOINC_Pro> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72 6F
{1557} normal block at 0x0000021BC3231400, 32 bytes long.
Data: <TEMP=D:\BOINC_Pr> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72
{1546} normal block at 0x0000021BC322FFD0, 48 bytes long.
Data: <TMPDIR=D:\BOINC_> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5F
{1515} normal block at 0x0000021BC322FC50, 48 bytes long.
Data: <PATH=D:\BOINC_Pr> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72
..\api\boinc_api.cpp(309) : {1502} normal block at 0x0000021BC3236960, 8 bytes long.
Data: < > 00 00 BB C4 1B 02 00 00
{302} normal block at 0x0000021BC3236B40, 8 bytes long.
Data: < z# > C0 7A 23 C3 1B 02 00 00
{293} normal block at 0x0000021BC321B550, 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 0x0000021BC3237360, 16 bytes long.
Data: < y# > C8 79 23 C3 1B 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000021BC3237090, 16 bytes long.
Data: < y# > A0 79 23 C3 1B 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000021BC3231640, 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 0x0000021BC32369B0, 16 bytes long.
Data: <xy# > 78 79 23 C3 1B 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000021BC3236910, 16 bytes long.
Data: <Py# > 50 79 23 C3 1B 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000021BC3236870, 16 bytes long.
Data: <(y# > 28 79 23 C3 1B 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000021BC3236AF0, 16 bytes long.
Data: < y# > 00 79 23 C3 1B 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000021BC322FA20, 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 0x0000021BC3237590, 16 bytes long.
Data: < b! > 18 62 21 C3 1B 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000021BC32314C0, 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 0x0000021BC3236A50, 16 bytes long.
Data: < a! > F0 61 21 C3 1B 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000021BC3237040, 16 bytes long.
Data: < a! > C8 61 21 C3 1B 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000021BC3236FF0, 16 bytes long.
Data: < a! > A0 61 21 C3 1B 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000021BC3236EB0, 16 bytes long.
Data: <xa! > 78 61 21 C3 1B 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000021BC3237450, 16 bytes long.
Data: <Pa! > 50 61 21 C3 1B 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000021BC32372C0, 16 bytes long.
Data: <(a! > 28 61 21 C3 1B 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000021BC32316A0, 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 0x0000021BC3236CD0, 16 bytes long.
Data: < a! > 00 61 21 C3 1B 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000021BC3216100, 320 bytes long.
Data: < l# # > D0 6C 23 C3 1B 02 00 00 A0 16 23 C3 1B 02 00 00
{272} normal block at 0x0000021BC32374A0, 16 bytes long.
Data: < x# > E0 78 23 C3 1B 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000021BC3237220, 16 bytes long.
Data: < x# > B8 78 23 C3 1B 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000021BC3231D60, 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 0x0000021BC3237540, 16 bytes long.
Data: < x# > 90 78 23 C3 1B 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000021BC3231A00, 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 0x0000021BC32371D0, 16 bytes long.
Data: < w# > D8 77 23 C3 1B 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000021BC3236FA0, 16 bytes long.
Data: < w# > B0 77 23 C3 1B 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000021BC3237400, 16 bytes long.
Data: < w# > 88 77 23 C3 1B 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000021BC32375E0, 16 bytes long.
Data: <`w# > 60 77 23 C3 1B 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000021BC3236AA0, 16 bytes long.
Data: <8w# > 38 77 23 C3 1B 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000021BC3236E10, 16 bytes long.
Data: < w# > 10 77 23 C3 1B 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000021BC3236F50, 16 bytes long.
Data: <@ # > 40 00 23 C3 1B 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000021BC3230040, 40 bytes long.
Data: <Po# P " > 50 6F 23 C3 1B 02 00 00 50 FC 22 C3 1B 02 00 00
{258} normal block at 0x0000021BC3237270, 16 bytes long.
Data: < v# > F0 76 23 C3 1B 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000021BC3236A00, 16 bytes long.
Data: < v# > C8 76 23 C3 1B 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000021BC3231B20, 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 0x0000021BC3236DC0, 16 bytes long.
Data: < v# > A0 76 23 C3 1B 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000021BC32376A0, 992 bytes long.
Data: < m# # > C0 6D 23 C3 1B 02 00 00 20 1B 23 C3 1B 02 00 00
{90} normal block at 0x0000021BC3231880, 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 0x0000021BC322A7A0, 16 bytes long.
Data: <p " > 70 FB 22 C3 1B 02 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x0000021BC322FB70, 40 bytes long.
Data: < " # > A0 A7 22 C3 1B 02 00 00 80 18 23 C3 1B 02 00 00
{67} normal block at 0x0000021BC322B1A0, 16 bytes long.
Data: < M > 80 EA 99 4D F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000021BC322AB10, 16 bytes long.
Data: <@ M > 40 E9 99 4D F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000021BC322AE30, 16 bytes long.
Data: < W M > F8 57 96 4D F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000021BC322A750, 16 bytes long.
Data: < W M > D8 57 96 4D F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000021BC322AD90, 16 bytes long.
Data: <P M > 50 04 96 4D F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000021BC322B100, 16 bytes long.
Data: <0 M > 30 04 96 4D F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000021BC322B010, 16 bytes long.
Data: < M > E0 02 96 4D F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000021BC322AAC0, 16 bytes long.
Data: < M > 10 04 96 4D F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000021BC322B2E0, 16 bytes long.
Data: <p M > 70 04 96 4D F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000021BC322AA70, 16 bytes long.
Data: < M > 18 C0 94 4D F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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