Task 38680428
| Name | test_348-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND2759_0 |
| Workunit | 31622149 |
| Created | 26 Oct 2026, 23:55:14 UTC |
| Sent | 26 Oct 2026, 23:55:19 UTC |
| Report deadline | 31 Oct 2026, 23:55:19 UTC |
| Received | 27 Oct 2026, 2:28:31 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 627736 |
| Run time | 1 hours 19 min 57 sec |
| CPU time | 1 hours 18 min 4 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 2,258.43 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 683.11 MB |
| Peak swap size | 9.72 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:21:13 (28116): wrapper (7.9.26016): starting
19:21:13 (28116): 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
19:21:15 (28116): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:21:15 (28116): 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) : {3835098} normal block at 0x0000019C6674EE20, 8 bytes long.
Data: < rf > 00 00 72 66 9C 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x0000019C684D3BD0, 1080 bytes long.
Data: < I > A4 49 00 00 CD CD CD CD FC 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000019C667506C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
20:45:47 (5360): wrapper (7.9.26016): starting
20:45:47 (5360): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1444} normal block at 0x000001B886B25A30, 8 bytes long.
Data: < > 00 00 AE 86 B8 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001B886B26500, 1080 bytes long.
Data: < L > 88 09 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
20:50:48 (28708): wrapper (7.9.26016): starting
20:50:48 (28708): 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
21:27:29 (28708): C:/Windows/system32/cmd.exe exited; CPU time 2172.484375
21:27:29 (28708): 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: 42144486 bytes.
Dumping objects ->
{1532} normal block at 0x0000027260E24910, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1521} normal block at 0x0000027260E24830, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1510} normal block at 0x0000027260E24A60, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1499} normal block at 0x0000027260E249F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1488} normal block at 0x0000027260E24360, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1457} normal block at 0x0000027260E18E20, 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) : {1444} normal block at 0x0000027260E253D0, 8 bytes long.
Data: < 4ar > 00 00 34 61 72 02 00 00
{305} normal block at 0x0000027260E251A0, 8 bytes long.
Data: <Pc `r > 50 63 E2 60 72 02 00 00
{296} normal block at 0x0000027260E15D00, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x0000027260E25150, 16 bytes long.
Data: <Xb `r > 58 62 E2 60 72 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000027260E25100, 16 bytes long.
Data: <0b `r > 30 62 E2 60 72 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000027260E1FAF0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x0000027260E25330, 16 bytes long.
Data: < b `r > 08 62 E2 60 72 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000027260E25C40, 16 bytes long.
Data: < a `r > E0 61 E2 60 72 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000027260E25D30, 16 bytes long.
Data: < a `r > B8 61 E2 60 72 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000027260E25240, 16 bytes long.
Data: < a `r > 90 61 E2 60 72 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000027260E247C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x0000027260E25600, 16 bytes long.
Data: <h `r > 68 E6 E0 60 72 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000027260E1FA90, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x0000027260E25A60, 16 bytes long.
Data: <@ `r > 40 E6 E0 60 72 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000027260E250B0, 16 bytes long.
Data: < `r > 18 E6 E0 60 72 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000027260E25060, 16 bytes long.
Data: < `r > F0 E5 E0 60 72 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000027260E25BF0, 16 bytes long.
Data: < `r > C8 E5 E0 60 72 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000027260E257E0, 16 bytes long.
Data: < `r > A0 E5 E0 60 72 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000027260E25DD0, 16 bytes long.
Data: <x `r > 78 E5 E0 60 72 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000027260E1FA30, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x0000027260E25290, 16 bytes long.
Data: <P `r > 50 E5 E0 60 72 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000027260E0E550, 320 bytes long.
Data: < R `r 0 `r > 90 52 E2 60 72 02 00 00 30 FA E1 60 72 02 00 00
{275} normal block at 0x0000027260E25010, 16 bytes long.
Data: <pa `r > 70 61 E2 60 72 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000027260E25920, 16 bytes long.
Data: <Ha `r > 48 61 E2 60 72 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000027260E1F490, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x0000027260E24F70, 16 bytes long.
Data: < a `r > 20 61 E2 60 72 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000027260E201B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x0000027260E25880, 16 bytes long.
Data: <h` `r > 68 60 E2 60 72 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000027260E24FC0, 16 bytes long.
Data: <@` `r > 40 60 E2 60 72 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000027260E256A0, 16 bytes long.
Data: < ` `r > 18 60 E2 60 72 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000027260E25790, 16 bytes long.
Data: < _ `r > F0 5F E2 60 72 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000027260E25A10, 16 bytes long.
Data: < _ `r > C8 5F E2 60 72 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000027260E25EC0, 16 bytes long.
Data: < _ `r > A0 5F E2 60 72 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000027260E25D80, 16 bytes long.
Data: < C `r > D0 43 E2 60 72 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000027260E243D0, 40 bytes long.
Data: < ] `r `r > 80 5D E2 60 72 02 00 00 20 8E E1 60 72 02 00 00
{261} normal block at 0x0000027260E258D0, 16 bytes long.
Data: < _ `r > 80 5F E2 60 72 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000027260E259C0, 16 bytes long.
Data: <X_ `r > 58 5F E2 60 72 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000027260E1F8B0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x0000027260E25740, 16 bytes long.
Data: <0_ `r > 30 5F E2 60 72 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000027260E25F30, 992 bytes long.
Data: <@W `r `r > 40 57 E2 60 72 02 00 00 B0 F8 E1 60 72 02 00 00
{93} normal block at 0x0000027260E1F9D0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x0000027260E1F190, 16 bytes long.
Data: <@ `r > 40 C1 E0 60 72 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000027260E0C140, 40 bytes long.
Data: < `r `r > 90 F1 E1 60 72 02 00 00 D0 F9 E1 60 72 02 00 00
{70} normal block at 0x0000027260E1ED80, 16 bytes long.
Data: < > 80 EA EC 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000027260E1E7E0, 16 bytes long.
Data: <@ > 40 E9 EC 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000027260E1E9C0, 16 bytes long.
Data: < W > F8 57 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000027260E1EF60, 16 bytes long.
Data: < W > D8 57 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000027260E1ECE0, 16 bytes long.
Data: <P > 50 04 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000027260E1E4C0, 16 bytes long.
Data: <0 > 30 04 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000027260E1EA60, 16 bytes long.
Data: < > E0 02 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000027260E1E790, 16 bytes long.
Data: < > 10 04 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000027260E1E6F0, 16 bytes long.
Data: <p > 70 04 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000027260E1F370, 16 bytes long.
Data: < > 18 C0 E7 97 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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