| Name | test_811-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND5245_0 |
| Workunit | 31624506 |
| Created | 27 Oct 2026, 9:38:58 UTC |
| Sent | 27 Oct 2026, 9:39:01 UTC |
| Report deadline | 1 Nov 2026, 9:39:01 UTC |
| Received | 27 Oct 2026, 18:09:12 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 593978 |
| Run time | 40 min 10 sec |
| CPU time | 39 min 31 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 16,492.58 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 694.39 MB |
| Peak swap size | 12.91 GB |
| Peak disk usage | 3.03 GB |
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:53:47 (17168): wrapper (7.9.26016): starting
12:53:47 (17168): 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
12:59:14 (27608): wrapper (7.9.26016): starting
12:59:14 (27608): 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
12:59:15 (27608): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:59:15 (27608): 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\36\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\36\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) : {1484} normal block at 0x00000219B9003300, 8 bytes long.
Data: < > 00 00 F7 B8 19 02 00 00
..\lib\diagnostics_win.cpp(417) : {300} normal block at 0x00000219B90039E0, 1080 bytes long.
Data: < [ P > D8 5B 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
13:10:41 (19996): wrapper (7.9.26016): starting
13:10:41 (19996): 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\36\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1485} normal block at 0x000001F2B3B61FE0, 8 bytes long.
Data: < e > 00 00 65 B5 F2 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001F2B3B636D0, 1080 bytes long.
Data: < b H > C0 62 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
13:41:26 (19036): wrapper (7.9.26016): starting
13:41:26 (19036): 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\36\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1485} normal block at 0x0000018CAAFB2050, 8 bytes long.
Data: < > 00 00 F8 AA 8C 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000018CAAFACC20, 1080 bytes long.
Data: < c P > F8 63 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
13:56:31 (22188): wrapper (7.9.26016): starting
13:56:31 (22188): 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\36\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
14:08:06 (22188): C:/Windows/system32/cmd.exe exited; CPU time 677.187500
14:08:06 (22188): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 bytes in 8 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: 12244410 bytes.
Dumping objects ->
{1574} normal block at 0x000001912348CA70, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1563} normal block at 0x000001912348CED0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1552} normal block at 0x000001912348D100, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1541} normal block at 0x000001912348D090, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1530} normal block at 0x000001912348CBC0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1499} normal block at 0x000001912347C880, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1488} normal block at 0x000001912347C7E0, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {1485} normal block at 0x0000019123494B20, 8 bytes long.
Data: < $ > 00 00 FA 24 91 01 00 00
{882} normal block at 0x0000019123493840, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{302} normal block at 0x0000019123494AD0, 8 bytes long.
Data: < H# > B0 DA 48 23 91 01 00 00
{293} normal block at 0x0000019123475CE0, 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 0x0000019123494A80, 16 bytes long.
Data: < NI# > B8 4E 49 23 91 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000191234949E0, 16 bytes long.
Data: < NI# > 90 4E 49 23 91 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001912348EE30, 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 0x0000019123493CC0, 16 bytes long.
Data: <hNI# > 68 4E 49 23 91 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000019123494120, 16 bytes long.
Data: <@NI# > 40 4E 49 23 91 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000019123493C20, 16 bytes long.
Data: < NI# > 18 4E 49 23 91 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000019123494440, 16 bytes long.
Data: < MI# > F0 4D 49 23 91 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001912348CD10, 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 0x0000019123494990, 16 bytes long.
Data: <x\G# > 78 5C 47 23 91 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001912348ED10, 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 0x00000191234940D0, 16 bytes long.
Data: <P\G# > 50 5C 47 23 91 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000019123494580, 16 bytes long.
Data: <(\G# > 28 5C 47 23 91 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000191234943F0, 16 bytes long.
Data: < \G# > 00 5C 47 23 91 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000019123494490, 16 bytes long.
Data: < [G# > D8 5B 47 23 91 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000019123494080, 16 bytes long.
Data: < [G# > B0 5B 47 23 91 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000019123494940, 16 bytes long.
Data: < [G# > 88 5B 47 23 91 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001912348E890, 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 0x0000019123493DB0, 16 bytes long.
Data: <`[G# > 60 5B 47 23 91 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000019123475B60, 320 bytes long.
Data: < =I# H# > B0 3D 49 23 91 01 00 00 90 E8 48 23 91 01 00 00
{272} normal block at 0x0000019123493BD0, 16 bytes long.
Data: < MI# > D0 4D 49 23 91 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000019123494300, 16 bytes long.
Data: < MI# > A8 4D 49 23 91 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001912348EB90, 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 0x00000191234948F0, 16 bytes long.
Data: < MI# > 80 4D 49 23 91 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001912348EAD0, 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 0x0000019123493D10, 16 bytes long.
Data: < LI# > C8 4C 49 23 91 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000191234948A0, 16 bytes long.
Data: < LI# > A0 4C 49 23 91 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000019123494A30, 16 bytes long.
Data: <xLI# > 78 4C 49 23 91 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000019123493D60, 16 bytes long.
Data: <PLI# > 50 4C 49 23 91 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000019123494800, 16 bytes long.
Data: <(LI# > 28 4C 49 23 91 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000191234943A0, 16 bytes long.
Data: < LI# > 00 4C 49 23 91 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000019123494350, 16 bytes long.
Data: < H# > 20 D0 48 23 91 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001912348D020, 40 bytes long.
Data: <PCI# G# > 50 43 49 23 91 01 00 00 80 C8 47 23 91 01 00 00
{258} normal block at 0x0000019123494030, 16 bytes long.
Data: < KI# > E0 4B 49 23 91 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000191234946C0, 16 bytes long.
Data: < KI# > B8 4B 49 23 91 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001912348E230, 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 0x00000191234947B0, 16 bytes long.
Data: < KI# > 90 4B 49 23 91 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000019123494B90, 992 bytes long.
Data: < GI# 0 H# > B0 47 49 23 91 01 00 00 30 E2 48 23 91 01 00 00
{90} normal block at 0x000001912348E770, 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 0x00000191234881E0, 16 bytes long.
Data: <` H# > 60 CE 48 23 91 01 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x000001912348CE60, 40 bytes long.
Data: < H# p H# > E0 81 48 23 91 01 00 00 70 E7 48 23 91 01 00 00
{67} normal block at 0x0000019123488A00, 16 bytes long.
Data: < C > 80 EA C5 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000019123488BE0, 16 bytes long.
Data: <@ C > 40 E9 C5 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000019123488960, 16 bytes long.
Data: < W C > F8 57 C2 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000191234889B0, 16 bytes long.
Data: < W C > D8 57 C2 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000191234887D0, 16 bytes long.
Data: <P C > 50 04 C2 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000191234884B0, 16 bytes long.
Data: <0 C > 30 04 C2 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000019123487FB0, 16 bytes long.
Data: < C > E0 02 C2 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000019123488190, 16 bytes long.
Data: < C > 10 04 C2 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000019123487E20, 16 bytes long.
Data: <p C > 70 04 C2 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000191234888C0, 16 bytes long.
Data: < C > 18 C0 C0 43 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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