Task 38665272
| Name | test_550-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND2140_0 |
| Workunit | 31608380 |
| Created | 25 Oct 2026, 0:56:54 UTC |
| Sent | 25 Oct 2026, 1:02:42 UTC |
| Report deadline | 30 Oct 2026, 1:02:42 UTC |
| Received | 25 Oct 2026, 4:51:18 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 626877 |
| Run time | 3 hours 28 min 42 sec |
| CPU time | 3 hours 22 min 50 sec |
| Validate state | Valid |
| Credit | 600,000.00 |
| 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 | 712.86 MB |
| Peak swap size | 6.94 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
21:03:32 (18756): wrapper (7.9.26016): starting
21:03:32 (18756): 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
21:03:33 (18756): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:03:33 (18756): 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\13\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\13\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 0x000001D38B17D910, 8 bytes long.
Data: < d > 00 00 64 8B D3 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833962} normal block at 0x000001D38CC9E480, 1080 bytes long.
Data: <P > 50 7F 00 00 CD CD CD CD D4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001D38B180B70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
00:03:45 (12544): wrapper (7.9.26016): starting
00:03:45 (12544): 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\13\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1469} normal block at 0x0000026A5A5363D0, 8 bytes long.
Data: < Zj > 00 00 8F 5A 6A 02 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x0000026A5A536A40, 1080 bytes long.
Data: <8) L > 38 29 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
00:13:54 (6148): wrapper (7.9.26016): starting
00:13:54 (6148): 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\13\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
00:50:27 (6148): C:/Windows/system32/cmd.exe exited; CPU time 2102.984375
00:50:27 (6148): 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: 43119879 bytes.
Dumping objects ->
{1557} normal block at 0x000002AAFC5D40A0, 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 0x000002AAFC5D3FC0, 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 0x000002AAFC5D4030, 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 0x000002AAFC5D3B60, 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 0x000002AAFC5D3CB0, 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 0x000002AAFC5BF400, 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 0x000002AAFC5D65B0, 8 bytes long.
Data: < > 00 00 A7 FC AA 02 00 00
{307} normal block at 0x000002AAFC5D5ED0, 8 bytes long.
Data: <@j] > 40 6A 5D FC AA 02 00 00
{298} normal block at 0x000002AAFC5C68F0, 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 0x000002AAFC5D56B0, 16 bytes long.
Data: <Hi] > 48 69 5D FC AA 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002AAFC5D64C0, 16 bytes long.
Data: < i] > 20 69 5D FC AA 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002AAFC5CF270, 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 0x000002AAFC5D5980, 16 bytes long.
Data: < h] > F8 68 5D FC AA 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002AAFC5D57A0, 16 bytes long.
Data: < h] > D0 68 5D FC AA 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002AAFC5D63D0, 16 bytes long.
Data: < h] > A8 68 5D FC AA 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002AAFC5D6330, 16 bytes long.
Data: < h] > 80 68 5D FC AA 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002AAFC5D3F50, 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 0x000002AAFC5D5CA0, 16 bytes long.
Data: <( [ > 28 E7 5B FC AA 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002AAFC5CF510, 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 0x000002AAFC5D6470, 16 bytes long.
Data: < [ > 00 E7 5B FC AA 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002AAFC5D5DE0, 16 bytes long.
Data: < [ > D8 E6 5B FC AA 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002AAFC5D5D90, 16 bytes long.
Data: < [ > B0 E6 5B FC AA 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002AAFC5D5C50, 16 bytes long.
Data: < [ > 88 E6 5B FC AA 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002AAFC5D5930, 16 bytes long.
Data: <` [ > 60 E6 5B FC AA 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002AAFC5D6420, 16 bytes long.
Data: <8 [ > 38 E6 5B FC AA 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002AAFC5CF630, 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 0x000002AAFC5D61F0, 16 bytes long.
Data: < [ > 10 E6 5B FC AA 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002AAFC5BE610, 320 bytes long.
Data: < a] 0 \ > F0 61 5D FC AA 02 00 00 30 F6 5C FC AA 02 00 00
{277} normal block at 0x000002AAFC5D6290, 16 bytes long.
Data: <`h] > 60 68 5D FC AA 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002AAFC5D62E0, 16 bytes long.
Data: <8h] > 38 68 5D FC AA 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002AAFC5CEB50, 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 0x000002AAFC5D5C00, 16 bytes long.
Data: < h] > 10 68 5D FC AA 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002AAFC5CF5D0, 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 0x000002AAFC5D5D40, 16 bytes long.
Data: <Xg] > 58 67 5D FC AA 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002AAFC5D5A20, 16 bytes long.
Data: <0g] > 30 67 5D FC AA 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002AAFC5D5F70, 16 bytes long.
Data: < g] > 08 67 5D FC AA 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002AAFC5D6510, 16 bytes long.
Data: < f] > E0 66 5D FC AA 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002AAFC5D5E30, 16 bytes long.
Data: < f] > B8 66 5D FC AA 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002AAFC5D59D0, 16 bytes long.
Data: < f] > 90 66 5D FC AA 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002AAFC5D5E80, 16 bytes long.
Data: <@<] > 40 3C 5D FC AA 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002AAFC5D3C40, 40 bytes long.
Data: < ^] [ > 80 5E 5D FC AA 02 00 00 00 F4 5B FC AA 02 00 00
{263} normal block at 0x000002AAFC5D5BB0, 16 bytes long.
Data: <pf] > 70 66 5D FC AA 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002AAFC5D5840, 16 bytes long.
Data: <Hf] > 48 66 5D FC AA 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002AAFC5CEE50, 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 0x000002AAFC5D5B60, 16 bytes long.
Data: < f] > 20 66 5D FC AA 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002AAFC5D6620, 992 bytes long.
Data: <`[] P \ > 60 5B 5D FC AA 02 00 00 50 EE 5C FC AA 02 00 00
{95} normal block at 0x000002AAFC5CF030, 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 0x000002AAFC5CDFE0, 16 bytes long.
Data: < =] > 90 3D 5D FC AA 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000002AAFC5D3D90, 40 bytes long.
Data: < \ 0 \ > E0 DF 5C FC AA 02 00 00 30 F0 5C FC AA 02 00 00
{72} normal block at 0x000002AAFC5CDBD0, 16 bytes long.
Data: < | > 80 EA 1E 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002AAFC5CD810, 16 bytes long.
Data: <@ | > 40 E9 1E 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002AAFC5CDB80, 16 bytes long.
Data: < W | > F8 57 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002AAFC5CD630, 16 bytes long.
Data: < W | > D8 57 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002AAFC5CD720, 16 bytes long.
Data: <P | > 50 04 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002AAFC5CDF40, 16 bytes long.
Data: <0 | > 30 04 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002AAFC5CD540, 16 bytes long.
Data: < | > E0 02 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002AAFC5CD5E0, 16 bytes long.
Data: < | > 10 04 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002AAFC5CD9F0, 16 bytes long.
Data: <p | > 70 04 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002AAFC5CD450, 16 bytes long.
Data: < | > 18 C0 19 7C F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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