Task 38675699
| Name | test_433-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND2747_1 |
| Workunit | 31617643 |
| Created | 26 Oct 2026, 9:03:05 UTC |
| Sent | 26 Oct 2026, 9:03:10 UTC |
| Report deadline | 31 Oct 2026, 9:03:10 UTC |
| Received | 26 Oct 2026, 12:26:58 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 574909 |
| Run time | 2 hours 44 min 52 sec |
| CPU time | 2 hours 41 min 37 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 2,906.63 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 666.73 MB |
| Peak swap size | 5.21 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:43:11 (18988): wrapper (7.9.26016): starting
04:43:11 (18988): 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
04:43:13 (18988): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:43:13 (18988): 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
07:26:39 (18988): C:/Windows/system32/cmd.exe exited; CPU time 9697.796875
07:26:39 (18988): 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: 157759085 bytes.
Dumping objects ->
{3835202} normal block at 0x000001F7F8C0E900, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835191} normal block at 0x000001F7F6FD63B0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835180} normal block at 0x000001F7F6FD6340, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835169} normal block at 0x000001F7F6FD62D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835158} normal block at 0x000001F7F6FD6260, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835127} normal block at 0x000001F7F8C56390, 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) : {3835114} normal block at 0x000001F7F6FCE810, 8 bytes long.
Data: < ÷ö÷ > 00 00 F7 F6 F7 01 00 00
{3833965} normal block at 0x000001F7F6FCEAE0, 8 bytes long.
Data: < Úûö÷ > A0 DA FB F6 F7 01 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001F7F6FD2D10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001F7F6FC6E90, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x000001F7F6FD7440, 16 bytes long.
Data: <hyýö÷ > 68 79 FD F6 F7 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001F7F6FD6A90, 16 bytes long.
Data: <@yýö÷ > 40 79 FD F6 F7 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001F7F6FD0AA0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x000001F7F6FD7170, 16 bytes long.
Data: < yýö÷ > 18 79 FD F6 F7 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001F7F6FD7030, 16 bytes long.
Data: <ðxýö÷ > F0 78 FD F6 F7 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F7F6FD6D60, 16 bytes long.
Data: <Èxýö÷ > C8 78 FD F6 F7 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001F7F6FD6A40, 16 bytes long.
Data: < xýö÷ > A0 78 FD F6 F7 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001F7F6FD6420, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x000001F7F6FD6EA0, 16 bytes long.
Data: <héûö÷ > 68 E9 FB F6 F7 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F7F6FD0A40, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x000001F7F6FD6CC0, 16 bytes long.
Data: <@éûö÷ > 40 E9 FB F6 F7 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F7F6FD6C70, 16 bytes long.
Data: < éûö÷ > 18 E9 FB F6 F7 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F7F6FD6DB0, 16 bytes long.
Data: <ðèûö÷ > F0 E8 FB F6 F7 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F7F6FD6AE0, 16 bytes long.
Data: <Èèûö÷ > C8 E8 FB F6 F7 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F7F6FD69A0, 16 bytes long.
Data: < èûö÷ > A0 E8 FB F6 F7 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F7F6FD7210, 16 bytes long.
Data: <xèûö÷ > 78 E8 FB F6 F7 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F7F6FD0CE0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x000001F7F6FD73F0, 16 bytes long.
Data: <Pèûö÷ > 50 E8 FB F6 F7 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F7F6FBE850, 320 bytes long.
Data: <ðsýö÷ à ýö÷ > F0 73 FD F6 F7 01 00 00 E0 0C FD F6 F7 01 00 00
{278} normal block at 0x000001F7F6FD6770, 16 bytes long.
Data: < xýö÷ > 80 78 FD F6 F7 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F7F6FD6950, 16 bytes long.
Data: <Xxýö÷ > 58 78 FD F6 F7 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F7F6FD0500, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x000001F7F6FD7300, 16 bytes long.
Data: <0xýö÷ > 30 78 FD F6 F7 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F7F6FD09E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x000001F7F6FD7260, 16 bytes long.
Data: <xwýö÷ > 78 77 FD F6 F7 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F7F6FD6F90, 16 bytes long.
Data: <Pwýö÷ > 50 77 FD F6 F7 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F7F6FD73A0, 16 bytes long.
Data: <(wýö÷ > 28 77 FD F6 F7 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F7F6FD69F0, 16 bytes long.
Data: < wýö÷ > 00 77 FD F6 F7 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F7F6FD6720, 16 bytes long.
Data: <Øvýö÷ > D8 76 FD F6 F7 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F7F6FD6E50, 16 bytes long.
Data: <°výö÷ > B0 76 FD F6 F7 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F7F6FD6900, 16 bytes long.
Data: <p^ýö÷ > 70 5E FD F6 F7 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F7F6FD5E70, 40 bytes long.
Data: < iýö÷ cÅø÷ > 00 69 FD F6 F7 01 00 00 90 63 C5 F8 F7 01 00 00
{264} normal block at 0x000001F7F6FD6810, 16 bytes long.
Data: < výö÷ > 90 76 FD F6 F7 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001F7F6FD7350, 16 bytes long.
Data: <hvýö÷ > 68 76 FD F6 F7 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F7F6FD0DA0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x000001F7F6FD7120, 16 bytes long.
Data: <@výö÷ > 40 76 FD F6 F7 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001F7F6FD7640, 992 bytes long.
Data: < qýö÷   ýö÷ > 20 71 FD F6 F7 01 00 00 A0 0D FD F6 F7 01 00 00
{96} normal block at 0x000001F7F6FD0080, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x000001F7F6FCE9F0, 16 bytes long.
Data: <pÖûö÷ > 70 D6 FB F6 F7 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000001F7F6FBD670, 40 bytes long.
Data: <ðéüö÷ ýö÷ > F0 E9 FC F6 F7 01 00 00 80 00 FD F6 F7 01 00 00
{73} normal block at 0x000001F7F6FCE770, 16 bytes long.
Data: < ê'O÷ > 80 EA 27 4F F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001F7F6FCF0D0, 16 bytes long.
Data: <@é'O÷ > 40 E9 27 4F F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001F7F6FCEEF0, 16 bytes long.
Data: <øW$O÷ > F8 57 24 4F F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001F7F6FCE2C0, 16 bytes long.
Data: <ØW$O÷ > D8 57 24 4F F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001F7F6FCE8B0, 16 bytes long.
Data: <P $O÷ > 50 04 24 4F F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F7F6FCE590, 16 bytes long.
Data: <0 $O÷ > 30 04 24 4F F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F7F6FCF170, 16 bytes long.
Data: <à $O÷ > E0 02 24 4F F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F7F6FCF120, 16 bytes long.
Data: < $O÷ > 10 04 24 4F F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001F7F6FCE680, 16 bytes long.
Data: <p $O÷ > 70 04 24 4F F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001F7F6FCE5E0, 16 bytes long.
Data: < À"O÷ > 18 C0 22 4F F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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