Task 38699172
| Name | test_511-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND5604_0 |
| Workunit | 31639602 |
| Created | 3 Nov 2026, 17:42:42 UTC |
| Sent | 3 Nov 2026, 17:42:46 UTC |
| Report deadline | 8 Nov 2026, 17:42:46 UTC |
| Received | 4 Nov 2026, 8:23:52 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 655048 |
| Run time | 1 hours 15 min 10 sec |
| CPU time | 1 hours 9 min 35 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,878.75 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 660.63 MB |
| Peak swap size | 2.30 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:07:02 (8680): wrapper (7.9.26016): starting
21:07:02 (8680): 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
21:07:04 (8680): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:07:04 (8680): 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) : {3835095} normal block at 0x00000215DA516320, 8 bytes long.
Data: < K > 00 00 4B DA 15 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833950} normal block at 0x00000215DA5FE5E0, 1080 bytes long.
Data: < P > F8 15 00 00 CD CD CD CD 50 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000215DA523370, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
08:11:34 (10032): wrapper (7.9.26016): starting
08:11:34 (10032): 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
09:23:06 (10032): C:/Windows/system32/cmd.exe exited; CPU time 4090.031250
09:23:06 (10032): 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: 48526712 bytes.
Dumping objects ->
{1533} normal block at 0x0000021EB358A3D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1522} normal block at 0x0000021EB358A4B0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1511} normal block at 0x0000021EB358A7C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1500} normal block at 0x0000021EB358A590, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1489} normal block at 0x0000021EB358A750, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1458} normal block at 0x0000021EB35929B0, 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) : {1445} normal block at 0x0000021EB3592170, 8 bytes long.
Data: < > 00 00 E6 B4 1E 02 00 00
{301} normal block at 0x0000021EB35926C0, 8 bytes long.
Data: < /Y > 80 2F 59 B3 1E 02 00 00
{292} normal block at 0x0000021EB3575D50, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x0000021EB3592120, 16 bytes long.
Data: < .Y > 88 2E 59 B3 1E 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000021EB3591D10, 16 bytes long.
Data: <`.Y > 60 2E 59 B3 1E 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000021EB358BAA0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x0000021EB35922B0, 16 bytes long.
Data: <8.Y > 38 2E 59 B3 1E 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000021EB3592670, 16 bytes long.
Data: < .Y > 10 2E 59 B3 1E 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000021EB3591B80, 16 bytes long.
Data: < -Y > E8 2D 59 B3 1E 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000021EB3592850, 16 bytes long.
Data: < -Y > C0 2D 59 B3 1E 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000021EB358A670, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x0000021EB3591F40, 16 bytes long.
Data: < \W > E8 5C 57 B3 1E 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000021EB358BF20, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x0000021EB3591B30, 16 bytes long.
Data: < \W > C0 5C 57 B3 1E 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000021EB3591AE0, 16 bytes long.
Data: < \W > 98 5C 57 B3 1E 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000021EB35924E0, 16 bytes long.
Data: <p\W > 70 5C 57 B3 1E 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000021EB3591A40, 16 bytes long.
Data: <H\W > 48 5C 57 B3 1E 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000021EB3591E00, 16 bytes long.
Data: < \W > 20 5C 57 B3 1E 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000021EB3592620, 16 bytes long.
Data: < [W > F8 5B 57 B3 1E 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000021EB358BE60, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x0000021EB3591CC0, 16 bytes long.
Data: < [W > D0 5B 57 B3 1E 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000021EB3575BD0, 320 bytes long.
Data: < Y ` X > C0 1C 59 B3 1E 02 00 00 60 BE 58 B3 1E 02 00 00
{271} normal block at 0x0000021EB3592300, 16 bytes long.
Data: < -Y > A0 2D 59 B3 1E 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000021EB3591EF0, 16 bytes long.
Data: <x-Y > 78 2D 59 B3 1E 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000021EB358C400, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x0000021EB35920D0, 16 bytes long.
Data: <P-Y > 50 2D 59 B3 1E 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000021EB358B9E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x0000021EB35925D0, 16 bytes long.
Data: < ,Y > 98 2C 59 B3 1E 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000021EB35928F0, 16 bytes long.
Data: <p,Y > 70 2C 59 B3 1E 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000021EB3592030, 16 bytes long.
Data: <H,Y > 48 2C 59 B3 1E 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000021EB3592440, 16 bytes long.
Data: < ,Y > 20 2C 59 B3 1E 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000021EB3591DB0, 16 bytes long.
Data: < +Y > F8 2B 59 B3 1E 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000021EB3592580, 16 bytes long.
Data: < +Y > D0 2B 59 B3 1E 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000021EB3591A90, 16 bytes long.
Data: < X > 80 A2 58 B3 1E 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000021EB358A280, 40 bytes long.
Data: < Y )Y > 90 1A 59 B3 1E 02 00 00 B0 29 59 B3 1E 02 00 00
{257} normal block at 0x0000021EB3592210, 16 bytes long.
Data: < +Y > B0 2B 59 B3 1E 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000021EB3591F90, 16 bytes long.
Data: < +Y > 88 2B 59 B3 1E 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000021EB358C0A0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x0000021EB35919F0, 16 bytes long.
Data: <`+Y > 60 2B 59 B3 1E 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000021EB3592B60, 992 bytes long.
Data: < Y X > F0 19 59 B3 1E 02 00 00 A0 C0 58 B3 1E 02 00 00
{89} normal block at 0x0000021EB358C520, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x0000021EB3585A30, 16 bytes long.
Data: <@ X > 40 A4 58 B3 1E 02 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x0000021EB358A440, 40 bytes long.
Data: <0ZX X > 30 5A 58 B3 1E 02 00 00 20 C5 58 B3 1E 02 00 00
{66} normal block at 0x0000021EB35859E0, 16 bytes long.
Data: < ] > 80 EA 9C 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000021EB3585490, 16 bytes long.
Data: <@ ] > 40 E9 9C 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000021EB3585800, 16 bytes long.
Data: < W ] > F8 57 99 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000021EB3585B70, 16 bytes long.
Data: < W ] > D8 57 99 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000021EB35857B0, 16 bytes long.
Data: <P ] > 50 04 99 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000021EB35856C0, 16 bytes long.
Data: <0 ] > 30 04 99 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000021EB3585C60, 16 bytes long.
Data: < ] > E0 02 99 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000021EB3585670, 16 bytes long.
Data: < ] > 10 04 99 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000021EB3585760, 16 bytes long.
Data: <p ] > 70 04 99 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000021EB3585440, 16 bytes long.
Data: < ] > 18 C0 97 5D F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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