Task 38656583
| Name | test_116-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND6625_0 |
| Workunit | 31600301 |
| Created | 24 Oct 2026, 10:46:54 UTC |
| Sent | 24 Oct 2026, 10:47:56 UTC |
| Report deadline | 29 Oct 2026, 10:47:56 UTC |
| Received | 25 Oct 2026, 21:25:39 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 641545 |
| Run time | 25 min 49 sec |
| CPU time | 25 min 49 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 30,562.35 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 692.34 MB |
| Peak swap size | 5.41 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
11:52:05 (50808): wrapper (7.9.26016): starting
11:52:05 (50808): 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
11:52:06 (50808): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:52:06 (50808): 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 'E:\bonic2\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 'E:\bonic2\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) : {3835324} normal block at 0x000002B89FEBB790, 8 bytes long.
Data: < 3 > 00 00 33 A0 B8 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833986} normal block at 0x000002B8A19EEAD0, 1080 bytes long.
Data: < > C0 C4 00 00 CD CD CD CD 14 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x000002B89FEC1800, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
12:22:33 (26904): wrapper (7.9.26016): starting
12:22:33 (26904): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\bonic2\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1656} normal block at 0x000001B2E5E74EB0, 8 bytes long.
Data: < - > 00 00 2D E6 B2 01 00 00
..\lib\diagnostics_win.cpp(417) : {318} normal block at 0x000001B2E5E76140, 1080 bytes long.
Data: < [ L > 1C 5B 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
12:40:18 (49932): wrapper (7.9.26016): starting
12:40:18 (49932): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\bonic2\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1656} normal block at 0x000001D4573C50B0, 8 bytes long.
Data: < W > 00 00 8C 57 D4 01 00 00
..\lib\diagnostics_win.cpp(417) : {318} normal block at 0x000001D4573C60E0, 1080 bytes long.
Data: < Q ( > CC 51 00 00 CD CD CD CD 28 01 00 00 00 00 00 00
Object dump complete.
13:22:35 (19828): wrapper (7.9.26016): starting
13:22:35 (19828): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\bonic2\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1656} normal block at 0x000001D8FD074EE0, 8 bytes long.
Data: < N > 00 00 4E FD D8 01 00 00
..\lib\diagnostics_win.cpp(417) : {318} normal block at 0x000001D8FD0762C0, 1080 bytes long.
Data: < P > 9C 0B 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
13:32:35 (24664): wrapper (7.9.26016): starting
13:32:35 (24664): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\bonic2\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1656} normal block at 0x00000214A8674AA0, 8 bytes long.
Data: < > 00 00 B1 A8 14 02 00 00
..\lib\diagnostics_win.cpp(417) : {318} normal block at 0x00000214A8676140, 1080 bytes long.
Data: < P > E8 7F 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
16:26:47 (51860): wrapper (7.9.26016): starting
16:26:47 (51860): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\bonic2\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
16:33:21 (51860): C:/Windows/system32/cmd.exe exited; CPU time 326.062500
16:33:21 (51860): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 7978609 bytes.
Dumping objects ->
{1744} normal block at 0x000001B7C8EAE620, 48 bytes long.
Data: <PATH=E:\bonic2\s> 50 41 54 48 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73
{1733} normal block at 0x000001B7C8EAD910, 32 bytes long.
Data: <HOME=E:\bonic2\s> 48 4F 4D 45 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73
{1722} normal block at 0x000001B7C8EADF70, 32 bytes long.
Data: <TMP=E:\bonic2\sl> 54 4D 50 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73 6C
{1711} normal block at 0x000001B7C8EAE330, 32 bytes long.
Data: <TEMP=E:\bonic2\s> 54 45 4D 50 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73
{1700} normal block at 0x000001B7C8EADF10, 32 bytes long.
Data: <TMPDIR=E:\bonic2> 54 4D 50 44 49 52 3D 45 3A 5C 62 6F 6E 69 63 32
{1669} normal block at 0x000001B7C8EAEC40, 48 bytes long.
Data: <PATH=E:\bonic2\s> 50 41 54 48 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73
..\api\boinc_api.cpp(309) : {1656} normal block at 0x000001B7C8EB4FA0, 8 bytes long.
Data: < 8 > 00 00 38 C9 B7 01 00 00
{319} normal block at 0x000001B7C8EB58B0, 8 bytes long.
Data: <@a > 40 61 EB C8 B7 01 00 00
{310} normal block at 0x000001B7C8EA7AC0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{309} normal block at 0x000001B7C8EB55E0, 16 bytes long.
Data: <H` > 48 60 EB C8 B7 01 00 00 00 00 00 00 00 00 00 00
{308} normal block at 0x000001B7C8EB4F50, 16 bytes long.
Data: < ` > 20 60 EB C8 B7 01 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x000001B7C8EADC70, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{306} normal block at 0x000001B7C8EB56D0, 16 bytes long.
Data: < _ > F8 5F EB C8 B7 01 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x000001B7C8EB5310, 16 bytes long.
Data: < _ > D0 5F EB C8 B7 01 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x000001B7C8EB5180, 16 bytes long.
Data: < _ > A8 5F EB C8 B7 01 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000001B7C8EB50E0, 16 bytes long.
Data: < _ > 80 5F EB C8 B7 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000001B7C8EAE700, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{301} normal block at 0x000001B7C8EB5590, 16 bytes long.
Data: <h > 68 A3 EA C8 B7 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001B7C8EAD7F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{299} normal block at 0x000001B7C8EB5860, 16 bytes long.
Data: <@ > 40 A3 EA C8 B7 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001B7C8EB4AF0, 16 bytes long.
Data: < > 18 A3 EA C8 B7 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001B7C8EB5090, 16 bytes long.
Data: < > F0 A2 EA C8 B7 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001B7C8EB5810, 16 bytes long.
Data: < > C8 A2 EA C8 B7 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001B7C8EB54A0, 16 bytes long.
Data: < > A0 A2 EA C8 B7 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001B7C8EB4A50, 16 bytes long.
Data: <x > 78 A2 EA C8 B7 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001B7C8EAD790, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{291} normal block at 0x000001B7C8EB4CD0, 16 bytes long.
Data: <P > 50 A2 EA C8 B7 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001B7C8EAA250, 320 bytes long.
Data: < L > D0 4C EB C8 B7 01 00 00 90 D7 EA C8 B7 01 00 00
{289} normal block at 0x000001B7C8EB5450, 16 bytes long.
Data: <`_ > 60 5F EB C8 B7 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001B7C8EB5680, 16 bytes long.
Data: <8_ > 38 5F EB C8 B7 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001B7C8EADA30, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{286} normal block at 0x000001B7C8EB4D70, 16 bytes long.
Data: < _ > 10 5F EB C8 B7 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001B7C8EAE030, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{284} normal block at 0x000001B7C8EB4EB0, 16 bytes long.
Data: <X^ > 58 5E EB C8 B7 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001B7C8EB53B0, 16 bytes long.
Data: <0^ > 30 5E EB C8 B7 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B7C8EB5220, 16 bytes long.
Data: < ^ > 08 5E EB C8 B7 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B7C8EB54F0, 16 bytes long.
Data: < ] > E0 5D EB C8 B7 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B7C8EB52C0, 16 bytes long.
Data: < ] > B8 5D EB C8 B7 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001B7C8EB4F00, 16 bytes long.
Data: < ] > 90 5D EB C8 B7 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001B7C8EB4B90, 16 bytes long.
Data: < > D0 EB EA C8 B7 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001B7C8EAEBD0, 40 bytes long.
Data: < K @ > 90 4B EB C8 B7 01 00 00 40 EC EA C8 B7 01 00 00
{275} normal block at 0x000001B7C8EB4E10, 16 bytes long.
Data: <p] > 70 5D EB C8 B7 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001B7C8EB4A00, 16 bytes long.
Data: <H] > 48 5D EB C8 B7 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B7C8EAE510, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{272} normal block at 0x000001B7C8EB5270, 16 bytes long.
Data: < ] > 20 5D EB C8 B7 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001B7C8EB5D20, 992 bytes long.
Data: <pR > 70 52 EB C8 B7 01 00 00 10 E5 EA C8 B7 01 00 00
{107} normal block at 0x000001B7C8EAE150, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{106} normal block at 0x000001B7C8EABD30, 16 bytes long.
Data: <` > 60 EB EA C8 B7 01 00 00 00 00 00 00 00 00 00 00
{105} normal block at 0x000001B7C8EAEB60, 40 bytes long.
Data: <0 P > 30 BD EA C8 B7 01 00 00 50 E1 EA C8 B7 01 00 00
{84} normal block at 0x000001B7C8EAB880, 16 bytes long.
Data: < Z > 80 EA B8 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x000001B7C8EAC0F0, 16 bytes long.
Data: <@ Z > 40 E9 B8 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x000001B7C8EAC500, 16 bytes long.
Data: < W Z > F8 57 B5 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x000001B7C8EAC000, 16 bytes long.
Data: < W Z > D8 57 B5 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x000001B7C8EAC410, 16 bytes long.
Data: <P Z > 50 04 B5 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x000001B7C8EAC230, 16 bytes long.
Data: <0 Z > 30 04 B5 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x000001B7C8EABA10, 16 bytes long.
Data: < Z > E0 02 B5 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000001B7C8EABE70, 16 bytes long.
Data: < Z > 10 04 B5 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000001B7C8EAC460, 16 bytes long.
Data: <p Z > 70 04 B5 5A F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001B7C8EABAB0, 16 bytes long.
Data: < Z > 18 C0 B3 5A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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