Task 38667366
| Name | test_259-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND0641_0 |
| Workunit | 31610004 |
| Created | 25 Oct 2026, 7:36:42 UTC |
| Sent | 25 Oct 2026, 7:37:09 UTC |
| Report deadline | 30 Oct 2026, 7:37:09 UTC |
| Received | 25 Oct 2026, 8:54:34 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 575758 |
| Run time | 1 hours 13 min 6 sec |
| CPU time | 1 hours 5 min 52 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 7,069.21 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 911.47 MB |
| Peak swap size | 5.28 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:40:27 (20896): wrapper (7.9.26016): starting
08:40:27 (20896): 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
08:40:29 (20896): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:40:29 (20896): 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\10\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\10\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
09:53:07 (20896): C:/Windows/system32/cmd.exe exited; CPU time 3952.250000
09:53:07 (20896): 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: 93227561 bytes.
Dumping objects ->
{3835511} normal block at 0x00000212FFB6C940, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835500} normal block at 0x00000212FFB6D580, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835489} normal block at 0x00000212FFB6D120, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835478} normal block at 0x00000212FFB6C860, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835467} normal block at 0x00000212FDFE4C60, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835436} normal block at 0x00000212FFBB9250, 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) : {3835423} normal block at 0x00000212FDFDEEE0, 8 bytes long.
Data: < öý > 00 00 F6 FD 12 02 00 00
{3833967} normal block at 0x00000212FDFDEE90, 8 bytes long.
Data: < Ä þ > 20 C4 00 FE 12 02 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000212FDFD72B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000212FDFD0320, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x00000212FDFE64F0, 16 bytes long.
Data: <(iþý > 28 69 FE FD 12 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000212FDFE5960, 16 bytes long.
Data: < iþý > 00 69 FE FD 12 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000212FDFE0920, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x00000212FDFE5E60, 16 bytes long.
Data: <Øhþý > D8 68 FE FD 12 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000212FDFE5F00, 16 bytes long.
Data: <°hþý > B0 68 FE FD 12 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000212FDFE5910, 16 bytes long.
Data: < hþý > 88 68 FE FD 12 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000212FDFE57D0, 16 bytes long.
Data: <`hþý > 60 68 FE FD 12 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000212FDFE4F00, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x00000212FDFE6270, 16 bytes long.
Data: <¨ ýý > A8 0C FD FD 12 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000212FDFE0860, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x00000212FDFE5820, 16 bytes long.
Data: < ýý > 80 0C FD FD 12 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000212FDFE5D70, 16 bytes long.
Data: <X ýý > 58 0C FD FD 12 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000212FDFE5AA0, 16 bytes long.
Data: <0 ýý > 30 0C FD FD 12 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000212FDFE6220, 16 bytes long.
Data: < ýý > 08 0C FD FD 12 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000212FDFE5D20, 16 bytes long.
Data: <à ýý > E0 0B FD FD 12 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000212FDFE61D0, 16 bytes long.
Data: <¸ ýý > B8 0B FD FD 12 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000212FDFE0260, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x00000212FDFE5C30, 16 bytes long.
Data: < ýý > 90 0B FD FD 12 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000212FDFD0B90, 320 bytes long.
Data: <0\þý ` þý > 30 5C FE FD 12 02 00 00 60 02 FE FD 12 02 00 00
{279} normal block at 0x00000212FDFE5EB0, 16 bytes long.
Data: <@hþý > 40 68 FE FD 12 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000212FDFE58C0, 16 bytes long.
Data: < hþý > 18 68 FE FD 12 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000212FDFE00E0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x00000212FDFE5BE0, 16 bytes long.
Data: <ðgþý > F0 67 FE FD 12 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000212FDFE0080, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x00000212FDFE6130, 16 bytes long.
Data: <8gþý > 38 67 FE FD 12 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000212FDFE6180, 16 bytes long.
Data: < gþý > 10 67 FE FD 12 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000212FDFE6540, 16 bytes long.
Data: <èfþý > E8 66 FE FD 12 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000212FDFE5640, 16 bytes long.
Data: <Àfþý > C0 66 FE FD 12 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000212FDFE6090, 16 bytes long.
Data: < fþý > 98 66 FE FD 12 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000212FDFE60E0, 16 bytes long.
Data: <pfþý > 70 66 FE FD 12 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000212FDFE64A0, 16 bytes long.
Data: < Nþý > 90 4E FE FD 12 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000212FDFE4E90, 40 bytes long.
Data: < dþý P’»ÿ > A0 64 FE FD 12 02 00 00 50 92 BB FF 12 02 00 00
{265} normal block at 0x00000212FDFE6590, 16 bytes long.
Data: <Pfþý > 50 66 FE FD 12 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000212FDFE6360, 16 bytes long.
Data: <(fþý > 28 66 FE FD 12 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000212FDFE0320, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x00000212FDFE5FF0, 16 bytes long.
Data: < fþý > 00 66 FE FD 12 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000212FDFE6600, 992 bytes long.
Data: <ð_þý þý > F0 5F FE FD 12 02 00 00 20 03 FE FD 12 02 00 00
{97} normal block at 0x00000212FDFE08C0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x00000212FDFDE350, 16 bytes long.
Data: < Hþý > 00 48 FE FD 12 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x00000212FDFE4800, 40 bytes long.
Data: <Pãýý À þý > 50 E3 FD FD 12 02 00 00 C0 08 FE FD 12 02 00 00
{74} normal block at 0x00000212FDFDF070, 16 bytes long.
Data: < êV¡÷ > 80 EA 56 A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000212FDFDEB20, 16 bytes long.
Data: <@éV¡÷ > 40 E9 56 A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000212FDFDEA30, 16 bytes long.
Data: <øWS¡÷ > F8 57 53 A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000212FDFDF110, 16 bytes long.
Data: <ØWS¡÷ > D8 57 53 A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000212FDFDE3A0, 16 bytes long.
Data: <P S¡÷ > 50 04 53 A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000212FDFDEC10, 16 bytes long.
Data: <0 S¡÷ > 30 04 53 A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000212FDFDEFD0, 16 bytes long.
Data: <à S¡÷ > E0 02 53 A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000212FDFDE990, 16 bytes long.
Data: < S¡÷ > 10 04 53 A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000212FDFDEE40, 16 bytes long.
Data: <p S¡÷ > 70 04 53 A1 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000212FDFDE800, 16 bytes long.
Data: < ÀQ¡÷ > 18 C0 51 A1 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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