Task 38686254
| Name | test_667-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND8660_0 |
| Workunit | 31627692 |
| Created | 28 Oct 2026, 1:34:44 UTC |
| Sent | 28 Oct 2026, 1:34:52 UTC |
| Report deadline | 2 Nov 2026, 1:34:52 UTC |
| Received | 28 Oct 2026, 14:32:03 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654379 |
| Run time | 32 min 22 sec |
| CPU time | 32 min 22 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 33,165.87 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 728.14 MB |
| Peak swap size | 13.00 GB |
| Peak disk usage | 3.72 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:13:15 (48036): wrapper (7.9.26016): starting
19:13:15 (48036): 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
19:13:17 (48036): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:13:17 (48036): 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\18\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\18\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) : {3835174} normal block at 0x000001CD802CD9F0, 8 bytes long.
Data: < ' > 00 00 27 80 CD 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833968} normal block at 0x000001CD81ECE5B0, 1080 bytes long.
Data: <4 > 34 B8 00 00 CD CD CD CD 1C 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001CD802D1B00, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
07:06:48 (21128): wrapper (7.9.26016): starting
07:06:48 (21128): 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\18\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
07:31:16 (21128): C:/Windows/system32/cmd.exe exited; CPU time 1482.406250
07:31:16 (21128): 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: 38493169 bytes.
Dumping objects ->
{1603} normal block at 0x00000207A50457F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1592} normal block at 0x00000207A5045C50, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1581} normal block at 0x00000207A5045E80, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1570} normal block at 0x00000207A5045B00, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1559} normal block at 0x00000207A5045BE0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1528} normal block at 0x00000207A5030B50, 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) : {1515} normal block at 0x00000207A5047EB0, 8 bytes long.
Data: < N > 00 00 4E A5 07 02 00 00
{310} normal block at 0x00000207A5047410, 8 bytes long.
Data: <0 > 30 84 04 A5 07 02 00 00
{301} normal block at 0x00000207A5037C30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x00000207A5047F00, 16 bytes long.
Data: <8 > 38 83 04 A5 07 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000207A5047E10, 16 bytes long.
Data: < > 10 83 04 A5 07 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000207A5041320, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x00000207A5047230, 16 bytes long.
Data: < > E8 82 04 A5 07 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000207A50473C0, 16 bytes long.
Data: < > C0 82 04 A5 07 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000207A50471E0, 16 bytes long.
Data: < > 98 82 04 A5 07 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000207A5047FA0, 16 bytes long.
Data: <p > 70 82 04 A5 07 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000207A50458D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x00000207A5047910, 16 bytes long.
Data: < > B8 06 03 A5 07 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000207A5040F00, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x00000207A5047550, 16 bytes long.
Data: < > 90 06 03 A5 07 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000207A50475A0, 16 bytes long.
Data: <h > 68 06 03 A5 07 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000207A5047640, 16 bytes long.
Data: <@ > 40 06 03 A5 07 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000207A5047A50, 16 bytes long.
Data: < > 18 06 03 A5 07 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000207A50470F0, 16 bytes long.
Data: < > F0 05 03 A5 07 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000207A5047DC0, 16 bytes long.
Data: < > C8 05 03 A5 07 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000207A5041080, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x00000207A5047BE0, 16 bytes long.
Data: < > A0 05 03 A5 07 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000207A50305A0, 320 bytes long.
Data: < { > E0 7B 04 A5 07 02 00 00 80 10 04 A5 07 02 00 00
{280} normal block at 0x00000207A5047280, 16 bytes long.
Data: <P > 50 82 04 A5 07 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000207A5047B90, 16 bytes long.
Data: <( > 28 82 04 A5 07 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000207A50415C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x00000207A5047320, 16 bytes long.
Data: < > 00 82 04 A5 07 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000207A5041140, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x00000207A5047D20, 16 bytes long.
Data: <H > 48 81 04 A5 07 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000207A5047AF0, 16 bytes long.
Data: < > 20 81 04 A5 07 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000207A5047E60, 16 bytes long.
Data: < > F8 80 04 A5 07 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000207A5047780, 16 bytes long.
Data: < > D0 80 04 A5 07 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000207A5047C30, 16 bytes long.
Data: < > A8 80 04 A5 07 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000207A50475F0, 16 bytes long.
Data: < > 80 80 04 A5 07 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000207A5047D70, 16 bytes long.
Data: < Z > 90 5A 04 A5 07 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000207A5045A90, 40 bytes long.
Data: <p} P > 70 7D 04 A5 07 02 00 00 50 0B 03 A5 07 02 00 00
{266} normal block at 0x00000207A5047190, 16 bytes long.
Data: <` > 60 80 04 A5 07 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000207A5047370, 16 bytes long.
Data: <8 > 38 80 04 A5 07 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000207A5041020, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x00000207A5047CD0, 16 bytes long.
Data: < > 10 80 04 A5 07 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000207A5048010, 992 bytes long.
Data: < | > D0 7C 04 A5 07 02 00 00 20 10 04 A5 07 02 00 00
{98} normal block at 0x00000207A5041920, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x00000207A503F560, 16 bytes long.
Data: <0] > 30 5D 04 A5 07 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x00000207A5045D30, 40 bytes long.
Data: <` > 60 F5 03 A5 07 02 00 00 20 19 04 A5 07 02 00 00
{75} normal block at 0x00000207A503F1F0, 16 bytes long.
Data: < A > 80 EA B0 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000207A503F0B0, 16 bytes long.
Data: <@ A > 40 E9 B0 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000207A503F8D0, 16 bytes long.
Data: < W A > F8 57 AD 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000207A503F330, 16 bytes long.
Data: < W A > D8 57 AD 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000207A503FA10, 16 bytes long.
Data: <P A > 50 04 AD 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000207A503F150, 16 bytes long.
Data: <0 A > 30 04 AD 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000207A503F2E0, 16 bytes long.
Data: < A > E0 02 AD 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000207A503FDD0, 16 bytes long.
Data: < A > 10 04 AD 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000207A503F510, 16 bytes long.
Data: <p A > 70 04 AD 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000207A503F4C0, 16 bytes long.
Data: < A > 18 C0 AB 41 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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