Task 38673895
| Name | test_921-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND6715_0 |
| Workunit | 31615951 |
| Created | 26 Oct 2026, 3:43:32 UTC |
| Sent | 26 Oct 2026, 3:43:35 UTC |
| Report deadline | 31 Oct 2026, 3:43:35 UTC |
| Received | 26 Oct 2026, 20:16:06 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 626877 |
| Run time | 22 min 42 sec |
| CPU time | 21 min 29 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 35,915.31 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 702.43 MB |
| Peak swap size | 6.93 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
23:44:29 (28200): wrapper (7.9.26016): starting
23:44:29 (28200): 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
23:44:30 (28200): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:44:30 (28200): 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\10\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\10\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) : {3835125} normal block at 0x000001F88043DE60, 8 bytes long.
Data: < ? > 00 00 3F 80 F8 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833962} normal block at 0x000001F881F6E480, 1080 bytes long.
Data: <@ > 40 86 00 00 CD CD CD CD EC 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001F8804412F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
15:49:46 (9388): wrapper (7.9.26016): starting
15:49:46 (9388): 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) : {1469} normal block at 0x0000020D3D885660, 8 bytes long.
Data: < = > 00 00 E4 3D 0D 02 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x0000020D3D886A40, 1080 bytes long.
Data: < P > F0 89 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
15:52:47 (20564): wrapper (7.9.26016): starting
15:52:47 (20564): 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\10\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
16:15:28 (20564): C:/Windows/system32/cmd.exe exited; CPU time 1289.250000
16:15:28 (20564): 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: 27399657 bytes.
Dumping objects ->
{1557} normal block at 0x000002A499033C50, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1546} normal block at 0x000002A499033B70, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1535} normal block at 0x000002A499033BE0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1524} normal block at 0x000002A499034120, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1513} normal block at 0x000002A499034040, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1482} normal block at 0x000002A49901F400, 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) : {1469} normal block at 0x000002A499035AD0, 8 bytes long.
Data: < 3 > 00 00 33 99 A4 02 00 00
{307} normal block at 0x000002A499035C60, 8 bytes long.
Data: <Pj > 50 6A 03 99 A4 02 00 00
{298} normal block at 0x000002A499025F70, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000002A499035BC0, 16 bytes long.
Data: <Xi > 58 69 03 99 A4 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002A499035F80, 16 bytes long.
Data: <0i > 30 69 03 99 A4 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002A49902F6A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000002A499035F30, 16 bytes long.
Data: < i > 08 69 03 99 A4 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002A4990363E0, 16 bytes long.
Data: < h > E0 68 03 99 A4 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002A499035670, 16 bytes long.
Data: < h > B8 68 03 99 A4 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002A4990357B0, 16 bytes long.
Data: < h > 90 68 03 99 A4 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002A499033DA0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000002A499035850, 16 bytes long.
Data: < > 18 B6 01 99 A4 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002A49902EF80, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000002A499036250, 16 bytes long.
Data: < > F0 B5 01 99 A4 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002A4990358A0, 16 bytes long.
Data: < > C8 B5 01 99 A4 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002A499035EE0, 16 bytes long.
Data: < > A0 B5 01 99 A4 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002A499035800, 16 bytes long.
Data: <x > 78 B5 01 99 A4 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002A499035E90, 16 bytes long.
Data: <P > 50 B5 01 99 A4 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002A499035D50, 16 bytes long.
Data: <( > 28 B5 01 99 A4 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002A49902EF20, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000002A499035CB0, 16 bytes long.
Data: < > 00 B5 01 99 A4 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002A49901B500, 320 bytes long.
Data: < \ > B0 5C 03 99 A4 02 00 00 20 EF 02 99 A4 02 00 00
{277} normal block at 0x000002A499035940, 16 bytes long.
Data: <ph > 70 68 03 99 A4 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002A4990362A0, 16 bytes long.
Data: <Hh > 48 68 03 99 A4 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002A49902F340, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000002A499036160, 16 bytes long.
Data: < h > 20 68 03 99 A4 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002A49902E9E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000002A499035E40, 16 bytes long.
Data: <hg > 68 67 03 99 A4 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002A499035DF0, 16 bytes long.
Data: <@g > 40 67 03 99 A4 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002A499035C10, 16 bytes long.
Data: < g > 18 67 03 99 A4 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002A499036570, 16 bytes long.
Data: < f > F0 66 03 99 A4 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002A499035B70, 16 bytes long.
Data: < f > C8 66 03 99 A4 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002A499035DA0, 16 bytes long.
Data: < f > A0 66 03 99 A4 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002A4990364D0, 16 bytes long.
Data: <`? > 60 3F 03 99 A4 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002A499033F60, 40 bytes long.
Data: < d > D0 64 03 99 A4 02 00 00 00 F4 01 99 A4 02 00 00
{263} normal block at 0x000002A499036070, 16 bytes long.
Data: < f > 80 66 03 99 A4 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002A499036520, 16 bytes long.
Data: <Xf > 58 66 03 99 A4 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002A49902EBC0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000002A499035710, 16 bytes long.
Data: <0f > 30 66 03 99 A4 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002A499036630, 992 bytes long.
Data: < W > 10 57 03 99 A4 02 00 00 C0 EB 02 99 A4 02 00 00
{95} normal block at 0x000002A49902F460, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000002A49902D5A0, 16 bytes long.
Data: <0= > 30 3D 03 99 A4 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000002A499033D30, 40 bytes long.
Data: < ` > A0 D5 02 99 A4 02 00 00 60 F4 02 99 A4 02 00 00
{72} normal block at 0x000002A49902DDC0, 16 bytes long.
Data: < o > 80 EA 11 6F F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002A49902DA00, 16 bytes long.
Data: <@ o > 40 E9 11 6F F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002A49902DAF0, 16 bytes long.
Data: < W o > F8 57 0E 6F F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002A49902D730, 16 bytes long.
Data: < W o > D8 57 0E 6F F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002A49902DA50, 16 bytes long.
Data: <P o > 50 04 0E 6F F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002A49902DAA0, 16 bytes long.
Data: <0 o > 30 04 0E 6F F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002A49902D690, 16 bytes long.
Data: < o > E0 02 0E 6F F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002A49902DF50, 16 bytes long.
Data: < o > 10 04 0E 6F F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002A49902D6E0, 16 bytes long.
Data: <p o > 70 04 0E 6F F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002A49902D550, 16 bytes long.
Data: < o > 18 C0 0C 6F F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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