Task 38680110
| Name | test_858-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND7155_0 |
| Workunit | 31621851 |
| Created | 26 Oct 2026, 22:51:03 UTC |
| Sent | 26 Oct 2026, 22:51:12 UTC |
| Report deadline | 31 Oct 2026, 22:51:12 UTC |
| Received | 27 Oct 2026, 15:52:29 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 630626 |
| Run time | 19 min 23 sec |
| CPU time | 19 min 23 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 40,323.63 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 724.68 MB |
| Peak swap size | 5.45 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:47:20 (30400): wrapper (7.9.26016): starting
19:47:20 (30400): 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
19:47:21 (30400): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:47:21 (30400): 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\12\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\12\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) : {3835488} normal block at 0x00000259A507E620, 8 bytes long.
Data: < G Y > 00 00 47 A5 59 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833960} normal block at 0x00000259A515EAF0, 1080 bytes long.
Data: <| > 7C 83 00 00 CD CD CD CD 84 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000259A50822E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
20:57:16 (9536): wrapper (7.9.26016): starting
20:57:16 (9536): 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\12\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
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1833} normal block at 0x000001ABD67A5DB0, 8 bytes long.
Data: < > 00 00 BD D6 AB 01 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000001ABD67A6B50, 1080 bytes long.
Data: < } ( > C4 7D 00 00 CD CD CD CD 28 01 00 00 00 00 00 00
Object dump complete.
21:12:37 (7668): wrapper (7.9.26016): starting
21:12:37 (7668): 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\12\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1833} normal block at 0x000002F3478265E0, 8 bytes long.
Data: < G > 00 00 D3 47 F3 02 00 00
..\lib\diagnostics_win.cpp(417) : {305} normal block at 0x000002F3478271F0, 1080 bytes long.
Data: < D > 08 8B 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
11:50:43 (27000): wrapper (7.9.26016): starting
11:50:43 (27000): 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\12\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
11:52:12 (27000): C:/Windows/system32/cmd.exe exited; CPU time 41.421875
11:52:12 (27000): 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: 1870731 bytes.
Dumping objects ->
{1921} normal block at 0x00000164A2835430, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1910} normal block at 0x00000164A2835900, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1899} normal block at 0x00000164A2835820, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1888} normal block at 0x00000164A2835740, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1877} normal block at 0x00000164A28357B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1846} normal block at 0x00000164A2829680, 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) : {1833} normal block at 0x00000164A2836C20, 8 bytes long.
Data: < | d > 00 00 7C A2 64 01 00 00
{306} normal block at 0x00000164A28364F0, 8 bytes long.
Data: < q d > F0 71 83 A2 64 01 00 00
{297} normal block at 0x00000164A2826A80, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x00000164A2836040, 16 bytes long.
Data: < p d > F8 70 83 A2 64 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000164A2835E60, 16 bytes long.
Data: < p d > D0 70 83 A2 64 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000164A282FB30, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x00000164A28369F0, 16 bytes long.
Data: < p d > A8 70 83 A2 64 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000164A2836D10, 16 bytes long.
Data: < p d > 80 70 83 A2 64 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000164A2836BD0, 16 bytes long.
Data: <Xp d > 58 70 83 A2 64 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000164A28369A0, 16 bytes long.
Data: <0p d > 30 70 83 A2 64 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000164A28355F0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x00000164A2836540, 16 bytes long.
Data: < d > B8 F7 81 A2 64 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000164A282F7D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x00000164A2836590, 16 bytes long.
Data: < d > 90 F7 81 A2 64 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000164A2835FF0, 16 bytes long.
Data: <h d > 68 F7 81 A2 64 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000164A2836AE0, 16 bytes long.
Data: <@ d > 40 F7 81 A2 64 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000164A2836CC0, 16 bytes long.
Data: < d > 18 F7 81 A2 64 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000164A28361D0, 16 bytes long.
Data: < d > F0 F6 81 A2 64 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000164A2836400, 16 bytes long.
Data: < d > C8 F6 81 A2 64 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000164A282FBF0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x00000164A2836360, 16 bytes long.
Data: < d > A0 F6 81 A2 64 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000164A281F6A0, 320 bytes long.
Data: <`c d d > 60 63 83 A2 64 01 00 00 F0 FB 82 A2 64 01 00 00
{276} normal block at 0x00000164A2836C70, 16 bytes long.
Data: < p d > 10 70 83 A2 64 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000164A2836950, 16 bytes long.
Data: < o d > E8 6F 83 A2 64 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000164A28300D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x00000164A2836A90, 16 bytes long.
Data: < o d > C0 6F 83 A2 64 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000164A282FDD0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x00000164A2836B80, 16 bytes long.
Data: < o d > 08 6F 83 A2 64 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000164A2836720, 16 bytes long.
Data: < n d > E0 6E 83 A2 64 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000164A2835F00, 16 bytes long.
Data: < n d > B8 6E 83 A2 64 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000164A2836900, 16 bytes long.
Data: < n d > 90 6E 83 A2 64 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000164A2836A40, 16 bytes long.
Data: <hn d > 68 6E 83 A2 64 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000164A2836B30, 16 bytes long.
Data: <@n d > 40 6E 83 A2 64 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000164A2836680, 16 bytes long.
Data: < V d > D0 56 83 A2 64 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000164A28356D0, 40 bytes long.
Data: < f d d > 80 66 83 A2 64 01 00 00 80 96 82 A2 64 01 00 00
{262} normal block at 0x00000164A28368B0, 16 bytes long.
Data: < n d > 20 6E 83 A2 64 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000164A2835F50, 16 bytes long.
Data: < m d > F8 6D 83 A2 64 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000164A2830070, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x00000164A2836860, 16 bytes long.
Data: < m d > D0 6D 83 A2 64 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000164A2836DD0, 992 bytes long.
Data: <`h d p d > 60 68 83 A2 64 01 00 00 70 00 83 A2 64 01 00 00
{94} normal block at 0x00000164A282FD10, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x00000164A282E1E0, 16 bytes long.
Data: < d > A0 F3 81 A2 64 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x00000164A281F3A0, 40 bytes long.
Data: < d d > E0 E1 82 A2 64 01 00 00 10 FD 82 A2 64 01 00 00
{71} normal block at 0x00000164A282D830, 16 bytes long.
Data: < X2 > 80 EA 58 32 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000164A282DCE0, 16 bytes long.
Data: <@ X2 > 40 E9 58 32 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000164A282D790, 16 bytes long.
Data: < WU2 > F8 57 55 32 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000164A282E190, 16 bytes long.
Data: < WU2 > D8 57 55 32 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000164A282DC90, 16 bytes long.
Data: <P U2 > 50 04 55 32 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000164A282DB00, 16 bytes long.
Data: <0 U2 > 30 04 55 32 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000164A282E6E0, 16 bytes long.
Data: < U2 > E0 02 55 32 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000164A282E690, 16 bytes long.
Data: < U2 > 10 04 55 32 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000164A282E230, 16 bytes long.
Data: <p U2 > 70 04 55 32 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000164A282E280, 16 bytes long.
Data: < S2 > 18 C0 53 32 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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