Task 38699731
| Name | test_551-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND1057_0 |
| Workunit | 31640107 |
| Created | 5 Nov 2026, 8:45:12 UTC |
| Sent | 5 Nov 2026, 8:45:15 UTC |
| Report deadline | 10 Nov 2026, 8:45:15 UTC |
| Received | 5 Nov 2026, 9:26:16 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 637148 |
| Run time | 38 min 26 sec |
| CPU time | 31 min 46 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 11,154.98 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 686.18 MB |
| Peak swap size | 5.25 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
02:49:07 (41072): wrapper (7.9.26016): starting
02:49:07 (41072): 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
02:49:09 (41072): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:49:09 (41072): 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\4\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\4\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
03:25:51 (41072): C:/Windows/system32/cmd.exe exited; CPU time 1906.015625
03:25:51 (41072): 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: 18366587 bytes.
Dumping objects ->
{3835294} normal block at 0x000001379BB16C10, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835283} normal block at 0x000001379BB174D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835272} normal block at 0x000001379BB16CF0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835261} normal block at 0x000001379BB170E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835250} normal block at 0x000001379BB17230, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835219} normal block at 0x000001379BA91E60, 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) : {3835206} normal block at 0x000001379BA3EA90, 8 bytes long.
Data: < ` 7 > 00 00 60 9D 37 01 00 00
{3833961} normal block at 0x000001379BA3EE50, 8 bytes long.
Data: <°dy 7 > B0 64 79 9D 37 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001379BA3F5A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001379BA37B60, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000001379BA47020, 16 bytes long.
Data: <x|¤›7 > 78 7C A4 9B 37 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001379BA46F80, 16 bytes long.
Data: <P|¤›7 > 50 7C A4 9B 37 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001379BA412A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000001379BA47520, 16 bytes long.
Data: <(|¤›7 > 28 7C A4 9B 37 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001379BA46EE0, 16 bytes long.
Data: < |¤›7 > 00 7C A4 9B 37 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001379BA47660, 16 bytes long.
Data: <Ø{¤›7 > D8 7B A4 9B 37 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001379BA472A0, 16 bytes long.
Data: <°{¤›7 > B0 7B A4 9B 37 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001379BA44D40, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000001379BA46A30, 16 bytes long.
Data: <8Ÿ£›7 > 38 9F A3 9B 37 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001379BA40E80, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000001379BA47250, 16 bytes long.
Data: < Ÿ£›7 > 10 9F A3 9B 37 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001379BA46AD0, 16 bytes long.
Data: <螣›7 > E8 9E A3 9B 37 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001379BA47890, 16 bytes long.
Data: <Àž£›7 > C0 9E A3 9B 37 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001379BA46E40, 16 bytes long.
Data: < ž£›7 > 98 9E A3 9B 37 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001379BA474D0, 16 bytes long.
Data: <pž£›7 > 70 9E A3 9B 37 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001379BA47610, 16 bytes long.
Data: <Hž£›7 > 48 9E A3 9B 37 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001379BA41CC0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000001379BA46B20, 16 bytes long.
Data: < ž£›7 > 20 9E A3 9B 37 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001379BA39E20, 320 bytes long.
Data: < k¤›7 À ¤›7 > 20 6B A4 9B 37 01 00 00 C0 1C A4 9B 37 01 00 00
{276} normal block at 0x000001379BA46DF0, 16 bytes long.
Data: < {¤›7 > 90 7B A4 9B 37 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001379BA470C0, 16 bytes long.
Data: <h{¤›7 > 68 7B A4 9B 37 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001379BA419C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000001379BA471B0, 16 bytes long.
Data: <@{¤›7 > 40 7B A4 9B 37 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001379BA41BA0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000001379BA46DA0, 16 bytes long.
Data: < z¤›7 > 88 7A A4 9B 37 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001379BA46F30, 16 bytes long.
Data: <`z¤›7 > 60 7A A4 9B 37 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001379BA475C0, 16 bytes long.
Data: <8z¤›7 > 38 7A A4 9B 37 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001379BA47160, 16 bytes long.
Data: < z¤›7 > 10 7A A4 9B 37 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001379BA46E90, 16 bytes long.
Data: <èy¤›7 > E8 79 A4 9B 37 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001379BA47200, 16 bytes long.
Data: <Ày¤›7 > C0 79 A4 9B 37 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001379BA469E0, 16 bytes long.
Data: <ðR¤›7 > F0 52 A4 9B 37 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001379BA452F0, 40 bytes long.
Data: <ài¤›7 ` ©›7 > E0 69 A4 9B 37 01 00 00 60 1E A9 9B 37 01 00 00
{262} normal block at 0x000001379BA46D00, 16 bytes long.
Data: < y¤›7 > A0 79 A4 9B 37 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001379BA46D50, 16 bytes long.
Data: <xy¤›7 > 78 79 A4 9B 37 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001379BA40E20, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000001379BA47070, 16 bytes long.
Data: <Py¤›7 > 50 79 A4 9B 37 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001379BA47950, 992 bytes long.
Data: <pp¤›7 ¤›7 > 70 70 A4 9B 37 01 00 00 20 0E A4 9B 37 01 00 00
{94} normal block at 0x000001379BA41300, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000001379BA3E540, 16 bytes long.
Data: < R¤›7 > 80 52 A4 9B 37 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001379BA45280, 40 bytes long.
Data: <@壛7 ¤›7 > 40 E5 A3 9B 37 01 00 00 00 13 A4 9B 37 01 00 00
{71} normal block at 0x000001379BA3E900, 16 bytes long.
Data: < ê ö > 80 EA 20 19 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001379BA3E680, 16 bytes long.
Data: <@é ö > 40 E9 20 19 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001379BA3EC20, 16 bytes long.
Data: <øW ö > F8 57 1D 19 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001379BA3E360, 16 bytes long.
Data: <ØW ö > D8 57 1D 19 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001379BA3EE00, 16 bytes long.
Data: <P ö > 50 04 1D 19 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001379BA3E0E0, 16 bytes long.
Data: <0 ö > 30 04 1D 19 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001379BA3ED60, 16 bytes long.
Data: <à ö > E0 02 1D 19 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001379BA3E770, 16 bytes long.
Data: < ö > 10 04 1D 19 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001379BA3ED10, 16 bytes long.
Data: <p ö > 70 04 1D 19 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001379BA3E8B0, 16 bytes long.
Data: < À ö > 18 C0 1B 19 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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