Task 38659573
| Name | test_1552-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND1921_0 |
| Workunit | 31603117 |
| Created | 24 Oct 2026, 13:30:19 UTC |
| Sent | 24 Oct 2026, 15:48:19 UTC |
| Report deadline | 29 Oct 2026, 15:48:19 UTC |
| Received | 24 Oct 2026, 21:13:46 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654840 |
| Run time | 1 hours 13 min 50 sec |
| CPU time | 1 hours 13 min 50 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,029.85 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 742.60 MB |
| Peak swap size | 8.40 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:39:49 (41044): wrapper (7.9.26016): starting
14:39:49 (41044): 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
14:39:52 (41044): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:39:52 (41044): 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.
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
15:58:43 (41044): C:/Windows/system32/cmd.exe exited; CPU time 4430.937500
15:58:43 (41044): 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: 138475529 bytes.
Dumping objects ->
{3835485} normal block at 0x000001C774234170, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835474} normal block at 0x000001C774233F40, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835463} normal block at 0x000001C774233CA0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835452} normal block at 0x000001C774234100, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835441} normal block at 0x000001C774233C30, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835410} normal block at 0x000001C7766CD6E0, 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) : {3835397} normal block at 0x000001C7742291C0, 8 bytes long.
Data: < TtÇ > 00 00 54 74 C7 01 00 00
{3833949} normal block at 0x000001C774229530, 8 bytes long.
Data: <PÉ%tÇ > 50 C9 25 74 C7 01 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001C774225180, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001C77422EDF0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x000001C774235160, 16 bytes long.
Data: <(W#tÇ > 28 57 23 74 C7 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001C7742352F0, 16 bytes long.
Data: < W#tÇ > 00 57 23 74 C7 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001C7742304C0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x000001C774234CB0, 16 bytes long.
Data: <ØV#tÇ > D8 56 23 74 C7 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001C774234B20, 16 bytes long.
Data: <°V#tÇ > B0 56 23 74 C7 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001C774234620, 16 bytes long.
Data: < V#tÇ > 88 56 23 74 C7 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001C7742344E0, 16 bytes long.
Data: <`V#tÇ > 60 56 23 74 C7 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001C774233DF0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x000001C774235250, 16 bytes long.
Data: <xô!tÇ > 78 F4 21 74 C7 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001C77422FD40, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x000001C774234490, 16 bytes long.
Data: <Pô!tÇ > 50 F4 21 74 C7 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001C7742345D0, 16 bytes long.
Data: <(ô!tÇ > 28 F4 21 74 C7 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001C774235110, 16 bytes long.
Data: < ô!tÇ > 00 F4 21 74 C7 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001C774235070, 16 bytes long.
Data: <Øó!tÇ > D8 F3 21 74 C7 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001C774234FD0, 16 bytes long.
Data: <°ó!tÇ > B0 F3 21 74 C7 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001C774234C10, 16 bytes long.
Data: < ó!tÇ > 88 F3 21 74 C7 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001C77422FC80, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x000001C774234BC0, 16 bytes long.
Data: <`ó!tÇ > 60 F3 21 74 C7 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001C77421F360, 320 bytes long.
Data: <ÀK#tÇ ü"tÇ > C0 4B 23 74 C7 01 00 00 80 FC 22 74 C7 01 00 00
{270} normal block at 0x000001C774234440, 16 bytes long.
Data: <@V#tÇ > 40 56 23 74 C7 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001C7742348F0, 16 bytes long.
Data: < V#tÇ > 18 56 23 74 C7 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001C77422FC20, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x000001C774234DA0, 16 bytes long.
Data: <ðU#tÇ > F0 55 23 74 C7 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001C77422FB60, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x000001C774234F30, 16 bytes long.
Data: <8U#tÇ > 38 55 23 74 C7 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001C774234A30, 16 bytes long.
Data: < U#tÇ > 10 55 23 74 C7 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001C7742350C0, 16 bytes long.
Data: <èT#tÇ > E8 54 23 74 C7 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001C774234580, 16 bytes long.
Data: <ÀT#tÇ > C0 54 23 74 C7 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001C774234530, 16 bytes long.
Data: < T#tÇ > 98 54 23 74 C7 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001C774234A80, 16 bytes long.
Data: <pT#tÇ > 70 54 23 74 C7 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001C774235020, 16 bytes long.
Data: <ÀB#tÇ > C0 42 23 74 C7 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001C7742342C0, 40 bytes long.
Data: < P#tÇ àÖlvÇ > 20 50 23 74 C7 01 00 00 E0 D6 6C 76 C7 01 00 00
{256} normal block at 0x000001C774235340, 16 bytes long.
Data: <PT#tÇ > 50 54 23 74 C7 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001C774235200, 16 bytes long.
Data: <(T#tÇ > 28 54 23 74 C7 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001C77422F980, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x000001C774234D50, 16 bytes long.
Data: < T#tÇ > 00 54 23 74 C7 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001C774235400, 992 bytes long.
Data: <PM#tÇ ù"tÇ > 50 4D 23 74 C7 01 00 00 80 F9 22 74 C7 01 00 00
{88} normal block at 0x000001C774230520, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x000001C774228F90, 16 bytes long.
Data: < Ø!tÇ > 80 D8 21 74 C7 01 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x000001C77421D880, 40 bytes long.
Data: < "tÇ #tÇ > 90 8F 22 74 C7 01 00 00 20 05 23 74 C7 01 00 00
{65} normal block at 0x000001C774228EF0, 16 bytes long.
Data: < êâÖö > 80 EA E2 D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001C7742298F0, 16 bytes long.
Data: <@éâÖö > 40 E9 E2 D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001C7742298A0, 16 bytes long.
Data: <øWßÖö > F8 57 DF D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001C774229DF0, 16 bytes long.
Data: <ØWßÖö > D8 57 DF D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001C7742297B0, 16 bytes long.
Data: <P ßÖö > 50 04 DF D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001C774229D50, 16 bytes long.
Data: <0 ßÖö > 30 04 DF D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001C7742292B0, 16 bytes long.
Data: <à ßÖö > E0 02 DF D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001C774229120, 16 bytes long.
Data: < ßÖö > 10 04 DF D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001C7742290D0, 16 bytes long.
Data: <p ßÖö > 70 04 DF D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001C774229800, 16 bytes long.
Data: < ÀÝÖö > 18 C0 DD D6 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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