Task 38697653
| Name | test_723-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND5008_0 |
| Workunit | 31638213 |
| Created | 1 Nov 2026, 19:04:00 UTC |
| Sent | 1 Nov 2026, 19:04:02 UTC |
| Report deadline | 6 Nov 2026, 19:04:02 UTC |
| Received | 2 Nov 2026, 16:57:45 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654919 |
| Run time | 3 hours 24 min 54 sec |
| CPU time | 3 hours 0 min 12 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 1,169.74 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 681.23 MB |
| Peak swap size | 9.69 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
20:05:00 (13380): wrapper (7.9.26016): starting
20:05:00 (13380): 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
20:05:01 (13380): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:05:01 (13380): 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 'D:\Boinc\slots\2\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 'D:\Boinc\slots\2\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) : {3835126} normal block at 0x000001465212F5E0, 8 bytes long.
Data: < ]RF > 00 00 5D 52 46 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833952} normal block at 0x000001465220EB10, 1080 bytes long.
Data: <<9 T > 3C 39 00 00 CD CD CD CD 54 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000146521252E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:33:20 (15140): wrapper (7.9.26016): starting
16:33:20 (15140): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\Boinc\slots\2\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
17:57:07 (15140): C:/Windows/system32/cmd.exe exited; CPU time 4473.078125
17:57:07 (15140): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 63949606 bytes.
Dumping objects ->
{1564} normal block at 0x0000019FCB045FF0, 48 bytes long.
Data: <PATH=D:\Boinc\sl> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C
{1553} normal block at 0x0000019FCB0407B0, 32 bytes long.
Data: <HOME=D:\Boinc\sl> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C
{1542} normal block at 0x0000019FCB040690, 32 bytes long.
Data: <TMP=D:\Boinc\slo> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 6F
{1531} normal block at 0x0000019FCB040870, 32 bytes long.
Data: <TEMP=D:\Boinc\sl> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C
{1520} normal block at 0x0000019FCB0403F0, 32 bytes long.
Data: <TMPDIR=D:\Boinc\> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5C
{1489} normal block at 0x0000019FCB045F80, 48 bytes long.
Data: <PATH=D:\Boinc\sl> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C
{1478} normal block at 0x0000019FCB02B640, 102 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) : {1475} normal block at 0x0000019FCB045570, 8 bytes long.
Data: < \ > 00 00 5C CB 9F 01 00 00
{879} normal block at 0x0000019FCB03F1B0, 102 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 0x0000019FCB045520, 8 bytes long.
Data: <`f > 60 66 04 CB 9F 01 00 00
{293} normal block at 0x0000019FCB0362F0, 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 0x0000019FCB0452A0, 16 bytes long.
Data: <X] > 58 5D 04 CB 9F 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000019FCB0448A0, 16 bytes long.
Data: <0] > 30 5D 04 CB 9F 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000019FCB040ED0, 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 0x0000019FCB045250, 16 bytes long.
Data: < ] > 08 5D 04 CB 9F 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000019FCB044670, 16 bytes long.
Data: < \ > E0 5C 04 CB 9F 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000019FCB0454D0, 16 bytes long.
Data: < \ > B8 5C 04 CB 9F 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000019FCB044B20, 16 bytes long.
Data: < \ > 90 5C 04 CB 9F 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000019FCB0465A0, 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 0x0000019FCB044990, 16 bytes long.
Data: < > 08 F8 02 CB 9F 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000019FCB041170, 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 0x0000019FCB045200, 16 bytes long.
Data: < > E0 F7 02 CB 9F 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000019FCB044AD0, 16 bytes long.
Data: < > B8 F7 02 CB 9F 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000019FCB045480, 16 bytes long.
Data: < > 90 F7 02 CB 9F 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000019FCB044800, 16 bytes long.
Data: <h > 68 F7 02 CB 9F 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000019FCB044CB0, 16 bytes long.
Data: <@ > 40 F7 02 CB 9F 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000019FCB0449E0, 16 bytes long.
Data: < > 18 F7 02 CB 9F 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000019FCB0409F0, 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 0x0000019FCB044940, 16 bytes long.
Data: < > F0 F6 02 CB 9F 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000019FCB02F6F0, 320 bytes long.
Data: <@I > 40 49 04 CB 9F 01 00 00 F0 09 04 CB 9F 01 00 00
{272} normal block at 0x0000019FCB044760, 16 bytes long.
Data: <p\ > 70 5C 04 CB 9F 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000019FCB044850, 16 bytes long.
Data: <H\ > 48 5C 04 CB 9F 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000019FCB040DB0, 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 0x0000019FCB045430, 16 bytes long.
Data: < \ > 20 5C 04 CB 9F 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000019FCB040CF0, 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 0x0000019FCB044A80, 16 bytes long.
Data: <h[ > 68 5B 04 CB 9F 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000019FCB044C60, 16 bytes long.
Data: <@[ > 40 5B 04 CB 9F 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000019FCB0446C0, 16 bytes long.
Data: < [ > 18 5B 04 CB 9F 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000019FCB0453E0, 16 bytes long.
Data: < Z > F0 5A 04 CB 9F 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000019FCB045390, 16 bytes long.
Data: < Z > C8 5A 04 CB 9F 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000019FCB0448F0, 16 bytes long.
Data: < Z > A0 5A 04 CB 9F 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000019FCB044C10, 16 bytes long.
Data: < > 80 F6 02 CB 9F 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000019FCB02F680, 40 bytes long.
Data: < L _ > 10 4C 04 CB 9F 01 00 00 80 5F 04 CB 9F 01 00 00
{258} normal block at 0x0000019FCB0452F0, 16 bytes long.
Data: < Z > 80 5A 04 CB 9F 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000019FCB045340, 16 bytes long.
Data: <XZ > 58 5A 04 CB 9F 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000019FCB040BD0, 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 0x0000019FCB045110, 16 bytes long.
Data: <0Z > 30 5A 04 CB 9F 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000019FCB045A30, 992 bytes long.
Data: < Q > 10 51 04 CB 9F 01 00 00 D0 0B 04 CB 9F 01 00 00
{90} normal block at 0x0000019FCB040F90, 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 0x0000019FCB03F720, 16 bytes long.
Data: < > C0 D4 02 CB 9F 01 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x0000019FCB02D4C0, 40 bytes long.
Data: < > 20 F7 03 CB 9F 01 00 00 90 0F 04 CB 9F 01 00 00
{67} normal block at 0x0000019FCB03FD60, 16 bytes long.
Data: < wg > 80 EA 77 67 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000019FCB03F2C0, 16 bytes long.
Data: <@ wg > 40 E9 77 67 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000019FCB040120, 16 bytes long.
Data: < Wtg > F8 57 74 67 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000019FCB0400D0, 16 bytes long.
Data: < Wtg > D8 57 74 67 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000019FCB03FEF0, 16 bytes long.
Data: <P tg > 50 04 74 67 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000019FCB03FAE0, 16 bytes long.
Data: <0 tg > 30 04 74 67 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000019FCB03F680, 16 bytes long.
Data: < tg > E0 02 74 67 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000019FCB03FC20, 16 bytes long.
Data: < tg > 10 04 74 67 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000019FCB03F450, 16 bytes long.
Data: <p tg > 70 04 74 67 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000019FCB03F900, 16 bytes long.
Data: < rg > 18 C0 72 67 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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