Task 38696255
| Name | test_562-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND5459_0 |
| Workunit | 31636898 |
| Created | 31 Oct 2026, 21:20:41 UTC |
| Sent | 31 Oct 2026, 21:20:49 UTC |
| Report deadline | 5 Nov 2026, 21:20:49 UTC |
| Received | 3 Nov 2026, 1:58:42 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 637745 |
| Run time | 36 min 57 sec |
| CPU time | 13 min 55 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 21,553.70 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 700.27 MB |
| Peak swap size | 8.42 GB |
| Peak disk usage | 4.44 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
14:55:40 (21488): wrapper (7.9.26016): starting
14:55:40 (21488): 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
14:55:41 (21488): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:55:41 (21488): 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) : {3835170} normal block at 0x000002748FE0B0D0, 8 bytes long.
Data: < t > 00 00 91 91 74 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833952} normal block at 0x000002748FDFC2C0, 1080 bytes long.
Data: <H= > 48 3D 00 00 CD CD CD CD F0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000002748FDFF090, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
15:01:01 (25516): wrapper (7.9.26016): starting
15:01:01 (25516): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849853} normal block at 0x0000016BFEDCAC10, 8 bytes long.
Data: < ' k > 00 00 27 FF 6B 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848635} normal block at 0x0000016BFF603360, 1080 bytes long.
Data: < > E4 1E 00 00 CD CD CD CD C8 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000016BFEDBF450, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:30:09 (8784): wrapper (7.9.26016): starting
16:30:09 (8784): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849853} normal block at 0x000001CD8DA1AC00, 8 bytes long.
Data: < Z > 00 00 5A 8F CD 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848635} normal block at 0x000001CD8F790800, 1080 bytes long.
Data: < R > 20 52 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001CD8DA0EDD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:34:44 (17064): wrapper (7.9.26016): starting
16:34:44 (17064): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849853} normal block at 0x000001B5B3E9AAC0, 8 bytes long.
Data: < > 00 00 E6 B3 B5 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848635} normal block at 0x000001B5B5C32960, 1080 bytes long.
Data: < > 1C 19 00 00 CD CD CD CD B0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001B5B3E8F590, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:59:45 (6228): wrapper (7.9.26016): starting
17:59:45 (6228): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849853} normal block at 0x0000026A3507AB30, 8 bytes long.
Data: < 6j > 00 00 AF 36 6A 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848635} normal block at 0x0000026A3506C2C0, 1080 bytes long.
Data: < J > 00 4A 00 00 CD CD CD CD D4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000026A3506F3C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
18:36:44 (4836): wrapper (7.9.26016): starting
18:36:44 (4836): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849853} normal block at 0x00000244ED8BBCD0, 8 bytes long.
Data: < S D > 00 00 53 EF 44 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848635} normal block at 0x00000244ED8AC2C0, 1080 bytes long.
Data: < C l > C4 43 00 00 CD CD CD CD 6C 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000244ED8B07A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:48:46 (15740): wrapper (7.9.26016): starting
17:48:46 (15740): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\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
17:58:08 (15740): C:/Windows/system32/cmd.exe exited; CPU time 318.609375
17:58:08 (15740): 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: 10278908 bytes.
Dumping objects ->
{3849941} normal block at 0x000002B8412F16B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849930} normal block at 0x000002B8412F0A00, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849919} normal block at 0x000002B8412F1640, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3849908} normal block at 0x000002B8412F14F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849897} normal block at 0x000002B8412F0D10, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3849866} normal block at 0x000002B83F87CD90, 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) : {3849853} normal block at 0x000002B83F87B5D0, 8 bytes long.
Data: < QA¸ > 00 00 51 41 B8 02 00 00
{3848636} normal block at 0x000002B83F87B490, 8 bytes long.
Data: <À†?¸ > C0 C2 86 3F B8 02 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000002B83F86FAA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002B83F867920, 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 0x000002B83F884D80, 16 bytes long.
Data: <èS ?¸ > E8 53 88 3F B8 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002B83F884B00, 16 bytes long.
Data: <ÀS ?¸ > C0 53 88 3F B8 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002B83F87FCB0, 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 0x000002B83F885000, 16 bytes long.
Data: < S ?¸ > 98 53 88 3F B8 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002B83F884AB0, 16 bytes long.
Data: <pS ?¸ > 70 53 88 3F B8 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002B83F884240, 16 bytes long.
Data: <HS ?¸ > 48 53 88 3F B8 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002B83F884FB0, 16 bytes long.
Data: < S ?¸ > 20 53 88 3F B8 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002B83F87EE40, 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 0x000002B83F8847E0, 16 bytes long.
Data: < Þ†?¸ > 88 DE 86 3F B8 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002B83F87F110, 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 0x000002B83F884F10, 16 bytes long.
Data: <`Þ†?¸ > 60 DE 86 3F B8 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002B83F884E70, 16 bytes long.
Data: <8Þ†?¸ > 38 DE 86 3F B8 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002B83F884290, 16 bytes long.
Data: < Þ†?¸ > 10 DE 86 3F B8 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002B83F8841F0, 16 bytes long.
Data: <è݆?¸ > E8 DD 86 3F B8 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002B83F884790, 16 bytes long.
Data: <À݆?¸ > C0 DD 86 3F B8 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002B83F8845B0, 16 bytes long.
Data: < ݆?¸ > 98 DD 86 3F B8 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002B83F87F950, 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 0x000002B83F884EC0, 16 bytes long.
Data: <p݆?¸ > 70 DD 86 3F B8 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002B83F86DD70, 320 bytes long.
Data: <ÀN ?¸ Pù‡?¸ > C0 4E 88 3F B8 02 00 00 50 F9 87 3F B8 02 00 00
{272} normal block at 0x000002B83F884A60, 16 bytes long.
Data: < S ?¸ > 00 53 88 3F B8 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002B83F884560, 16 bytes long.
Data: <ØR ?¸ > D8 52 88 3F B8 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002B83F87F9B0, 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 0x000002B83F884E20, 16 bytes long.
Data: <°R ?¸ > B0 52 88 3F B8 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002B83F87F050, 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 0x000002B83F884740, 16 bytes long.
Data: <øQ ?¸ > F8 51 88 3F B8 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002B83F8846F0, 16 bytes long.
Data: <ÐQ ?¸ > D0 51 88 3F B8 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002B83F884C40, 16 bytes long.
Data: <¨Q ?¸ > A8 51 88 3F B8 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002B83F884A10, 16 bytes long.
Data: < Q ?¸ > 80 51 88 3F B8 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002B83F8841A0, 16 bytes long.
Data: <XQ ?¸ > 58 51 88 3F B8 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002B83F8844C0, 16 bytes long.
Data: <0Q ?¸ > 30 51 88 3F B8 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002B83F8849C0, 16 bytes long.
Data: <Ðí‡?¸ > D0 ED 87 3F B8 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002B83F87EDD0, 40 bytes long.
Data: <ÀI ?¸ ͇?¸ > C0 49 88 3F B8 02 00 00 90 CD 87 3F B8 02 00 00
{258} normal block at 0x000002B83F884920, 16 bytes long.
Data: < Q ?¸ > 10 51 88 3F B8 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002B83F884830, 16 bytes long.
Data: <èP ?¸ > E8 50 88 3F B8 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002B83F87F5F0, 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 0x000002B83F884F60, 16 bytes long.
Data: <ÀP ?¸ > C0 50 88 3F B8 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000002B83F8850C0, 992 bytes long.
Data: <`O ?¸ ðõ‡?¸ > 60 4F 88 3F B8 02 00 00 F0 F5 87 3F B8 02 00 00
{90} normal block at 0x000002B83F87F0B0, 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 0x000002B83F87AF90, 16 bytes long.
Data: <ðì‡?¸ > F0 EC 87 3F B8 02 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x000002B83F87ECF0, 40 bytes long.
Data: < ¯‡?¸ °ð‡?¸ > 90 AF 87 3F B8 02 00 00 B0 F0 87 3F B8 02 00 00
{67} normal block at 0x000002B83F87AF40, 16 bytes long.
Data: < ê5¢÷ > 80 EA 35 A2 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002B83F87B0D0, 16 bytes long.
Data: <@é5¢÷ > 40 E9 35 A2 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002B83F87B760, 16 bytes long.
Data: <øW2¢÷ > F8 57 32 A2 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002B83F87B800, 16 bytes long.
Data: <ØW2¢÷ > D8 57 32 A2 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002B83F87B580, 16 bytes long.
Data: <P 2¢÷ > 50 04 32 A2 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002B83F87ACC0, 16 bytes long.
Data: <0 2¢÷ > 30 04 32 A2 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002B83F87AEF0, 16 bytes long.
Data: <à 2¢÷ > E0 02 32 A2 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002B83F87AE50, 16 bytes long.
Data: < 2¢÷ > 10 04 32 A2 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002B83F87B030, 16 bytes long.
Data: <p 2¢÷ > 70 04 32 A2 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002B83F87AD60, 16 bytes long.
Data: < À0¢÷ > 18 C0 30 A2 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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