Task 38666555
| Name | test_850-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND0323_0 |
| Workunit | 31609424 |
| Created | 25 Oct 2026, 3:47:21 UTC |
| Sent | 25 Oct 2026, 4:11:09 UTC |
| Report deadline | 30 Oct 2026, 4:11:09 UTC |
| Received | 25 Oct 2026, 10:38:02 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 627263 |
| Run time | 42 min 26 sec |
| CPU time | 29 min 35 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 34,102.83 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 4.67 GB |
| Peak swap size | 6.99 GB |
| Peak disk usage | 3.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:45:36 (41660): wrapper (7.9.26016): starting
05:45:36 (41660): 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
05:45:37 (41660): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:45:37 (41660): 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:\ProgramData\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:\ProgramData\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) : {3835117} normal block at 0x000001D4DDE7EC00, 8 bytes long.
Data: < / > 00 00 2F DE D4 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x000001D4DFA3E4D0, 1080 bytes long.
Data: < > A8 BF 00 00 CD CD CD CD 18 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001D4DDE82B70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
06:10:38 (31420): wrapper (7.9.26016): starting
06:10:38 (31420): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\ProgramData\BOINC\slots\2\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1463} normal block at 0x000001B94C446390, 8 bytes long.
Data: < L > 00 00 91 4C B9 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001B94C447170, 1080 bytes long.
Data: < D > D0 96 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
06:15:40 (41908): wrapper (7.9.26016): starting
06:15:40 (41908): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\ProgramData\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
06:37:21 (41908): C:/Windows/system32/cmd.exe exited; CPU time 974.375000
06:37:21 (41908): 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: 29347732 bytes.
Dumping objects ->
{1551} normal block at 0x0000016F8D2251F0, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{1540} normal block at 0x0000016F8D225880, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{1529} normal block at 0x0000016F8D225810, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{1518} normal block at 0x0000016F8D2257A0, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{1507} normal block at 0x0000016F8D225730, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{1476} normal block at 0x0000016F8D219620, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {1463} normal block at 0x0000016F8D2267A0, 8 bytes long.
Data: < k o > 00 00 6B 8D 6F 01 00 00
{305} normal block at 0x0000016F8D226D40, 8 bytes long.
Data: <pq" o > 70 71 22 8D 6F 01 00 00
{296} normal block at 0x0000016F8D216750, 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 0x0000016F8D226250, 16 bytes long.
Data: <h`" o > 68 60 22 8D 6F 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000016F8D226570, 16 bytes long.
Data: <@`" o > 40 60 22 8D 6F 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000016F8D21F6F0, 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 0x0000016F8D2261B0, 16 bytes long.
Data: < `" o > 18 60 22 8D 6F 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000016F8D226F70, 16 bytes long.
Data: < _" o > F0 5F 22 8D 6F 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000016F8D226520, 16 bytes long.
Data: < _" o > C8 5F 22 8D 6F 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000016F8D226C50, 16 bytes long.
Data: < _" o > A0 5F 22 8D 6F 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000016F8D2256C0, 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 0x0000016F8D227100, 16 bytes long.
Data: < o > C8 F7 20 8D 6F 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000016F8D21FF30, 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 0x0000016F8D226890, 16 bytes long.
Data: < o > A0 F7 20 8D 6F 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000016F8D226B10, 16 bytes long.
Data: <x o > 78 F7 20 8D 6F 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000016F8D2262F0, 16 bytes long.
Data: <P o > 50 F7 20 8D 6F 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000016F8D226CF0, 16 bytes long.
Data: <( o > 28 F7 20 8D 6F 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000016F8D226A20, 16 bytes long.
Data: < o > 00 F7 20 8D 6F 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000016F8D226700, 16 bytes long.
Data: < o > D8 F6 20 8D 6F 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000016F8D21FE10, 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 0x0000016F8D226E80, 16 bytes long.
Data: < o > B0 F6 20 8D 6F 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000016F8D20F6B0, 320 bytes long.
Data: < n" o ! o > 80 6E 22 8D 6F 01 00 00 10 FE 21 8D 6F 01 00 00
{275} normal block at 0x0000016F8D226A70, 16 bytes long.
Data: < _" o > 80 5F 22 8D 6F 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000016F8D2270B0, 16 bytes long.
Data: <X_" o > 58 5F 22 8D 6F 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000016F8D21FDB0, 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 0x0000016F8D2267F0, 16 bytes long.
Data: <0_" o > 30 5F 22 8D 6F 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000016F8D21FD50, 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 0x0000016F8D226660, 16 bytes long.
Data: <x^" o > 78 5E 22 8D 6F 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000016F8D226C00, 16 bytes long.
Data: <P^" o > 50 5E 22 8D 6F 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000016F8D226CA0, 16 bytes long.
Data: <(^" o > 28 5E 22 8D 6F 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000016F8D226AC0, 16 bytes long.
Data: < ^" o > 00 5E 22 8D 6F 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000016F8D226F20, 16 bytes long.
Data: < ]" o > D8 5D 22 8D 6F 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000016F8D21E220, 16 bytes long.
Data: < ]" o > B0 5D 22 8D 6F 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000016F8D21E180, 16 bytes long.
Data: <pU" o > 70 55 22 8D 6F 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000016F8D225570, 40 bytes long.
Data: < ! o ! o > 80 E1 21 8D 6F 01 00 00 20 96 21 8D 6F 01 00 00
{261} normal block at 0x0000016F8D21DFF0, 16 bytes long.
Data: < ]" o > 90 5D 22 8D 6F 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000016F8D21DD20, 16 bytes long.
Data: <h]" o > 68 5D 22 8D 6F 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000016F8D2205F0, 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 0x0000016F8D21D820, 16 bytes long.
Data: <@]" o > 40 5D 22 8D 6F 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000016F8D225D40, 992 bytes long.
Data: < ! o " o > 20 D8 21 8D 6F 01 00 00 F0 05 22 8D 6F 01 00 00
{93} normal block at 0x0000016F8D220230, 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 0x0000016F8D21E2C0, 16 bytes long.
Data: < Q" o > 80 51 22 8D 6F 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000016F8D225180, 40 bytes long.
Data: < ! o 0 " o > C0 E2 21 8D 6F 01 00 00 30 02 22 8D 6F 01 00 00
{70} normal block at 0x0000016F8D21E4F0, 16 bytes long.
Data: < * > 80 EA 2A E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000016F8D21DCD0, 16 bytes long.
Data: <@ * > 40 E9 2A E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000016F8D21E270, 16 bytes long.
Data: < W' > F8 57 27 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000016F8D21E450, 16 bytes long.
Data: < W' > D8 57 27 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000016F8D21DC80, 16 bytes long.
Data: <P ' > 50 04 27 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000016F8D21E400, 16 bytes long.
Data: <0 ' > 30 04 27 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000016F8D21DB90, 16 bytes long.
Data: < ' > E0 02 27 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000016F8D21D780, 16 bytes long.
Data: < ' > 10 04 27 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000016F8D21E1D0, 16 bytes long.
Data: <p ' > 70 04 27 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000016F8D21E360, 16 bytes long.
Data: < % > 18 C0 25 E5 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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