Task 38680830
| Name | test_450-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND3840_0 |
| Workunit | 31622530 |
| Created | 27 Oct 2026, 1:45:29 UTC |
| Sent | 27 Oct 2026, 1:45:33 UTC |
| Report deadline | 1 Nov 2026, 1:45:33 UTC |
| Received | 27 Oct 2026, 2:59:20 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652945 |
| Run time | 24 min 32 sec |
| CPU time | 22 min 56 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 17,844.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 751.41 MB |
| Peak swap size | 9.98 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:35:17 (15696): wrapper (7.9.26016): starting
03:35:17 (15696): 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
03:35:18 (15696): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:35:18 (15696): 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
03:58:57 (15696): C:/Windows/system32/cmd.exe exited; CPU time 1376.859375
03:58:57 (15696): 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: 27469965 bytes.
Dumping objects ->
{3835492} normal block at 0x0000015F97BD2F50, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835481} normal block at 0x0000015F97BD3B20, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835470} normal block at 0x0000015F97BD35E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835459} normal block at 0x0000015F97BD31F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835448} normal block at 0x0000015F95D90610, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835417} normal block at 0x0000015F97C1AE00, 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) : {3835404} normal block at 0x0000015F95D96E20, 8 bytes long.
Data: < Á•_ > 00 00 C1 95 5F 01 00 00
{3833967} normal block at 0x0000015F95D97460, 8 bytes long.
Data: <ð È—_ > F0 00 C8 97 5F 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000015F95D8CE80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000015F95D86460, 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 0x0000015F95D91A00, 16 bytes long.
Data: < ¢Ù•_ > 98 A2 D9 95 5F 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000015F95D91960, 16 bytes long.
Data: <p¢Ù•_ > 70 A2 D9 95 5F 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000015F95DDA840, 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 0x0000015F95D91910, 16 bytes long.
Data: <H¢Ù•_ > 48 A2 D9 95 5F 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000015F95D918C0, 16 bytes long.
Data: < ¢Ù•_ > 20 A2 D9 95 5F 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000015F95D91870, 16 bytes long.
Data: <ø¡Ù•_ > F8 A1 D9 95 5F 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000015F95D91820, 16 bytes long.
Data: <Сٕ_ > D0 A1 D9 95 5F 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000015F95D90060, 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 0x0000015F95D917D0, 16 bytes long.
Data: <x8Ù•_ > 78 38 D9 95 5F 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000015F95DDA960, 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 0x0000015F95D91730, 16 bytes long.
Data: <P8Ù•_ > 50 38 D9 95 5F 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000015F95D914B0, 16 bytes long.
Data: <(8Ù•_ > 28 38 D9 95 5F 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000015F95D912D0, 16 bytes long.
Data: < 8Ù•_ > 00 38 D9 95 5F 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000015F95D916E0, 16 bytes long.
Data: <Ø7Ù•_ > D8 37 D9 95 5F 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000015F95D96DD0, 16 bytes long.
Data: <°7Ù•_ > B0 37 D9 95 5F 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000015F95D96F60, 16 bytes long.
Data: < 7Ù•_ > 88 37 D9 95 5F 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000015F95DDA5A0, 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 0x0000015F95D96D80, 16 bytes long.
Data: <`7Ù•_ > 60 37 D9 95 5F 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000015F95D93760, 320 bytes long.
Data: < mÙ•_  ¥Ý•_ > 80 6D D9 95 5F 01 00 00 A0 A5 DD 95 5F 01 00 00
{279} normal block at 0x0000015F95D974B0, 16 bytes long.
Data: <°¡Ù•_ > B0 A1 D9 95 5F 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000015F95D97410, 16 bytes long.
Data: < ¡Ù•_ > 88 A1 D9 95 5F 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000015F95DDA900, 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 0x0000015F95D970F0, 16 bytes long.
Data: <`¡Ù•_ > 60 A1 D9 95 5F 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000015F95DDA780, 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 0x0000015F95D97000, 16 bytes long.
Data: <¨ Ù•_ > A8 A0 D9 95 5F 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000015F95D97370, 16 bytes long.
Data: <  Ù•_ > 80 A0 D9 95 5F 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000015F95D971E0, 16 bytes long.
Data: <X Ù•_ > 58 A0 D9 95 5F 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000015F95D970A0, 16 bytes long.
Data: <0 Ù•_ > 30 A0 D9 95 5F 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000015F95D97190, 16 bytes long.
Data: <  Ù•_ > 08 A0 D9 95 5F 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000015F95D97320, 16 bytes long.
Data: <àŸÙ•_ > E0 9F D9 95 5F 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000015F95D97050, 16 bytes long.
Data: <ðÿØ•_ > F0 FF D8 95 5F 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000015F95D8FFF0, 40 bytes long.
Data: <PpÙ•_ ®Á—_ > 50 70 D9 95 5F 01 00 00 00 AE C1 97 5F 01 00 00
{265} normal block at 0x0000015F95D97140, 16 bytes long.
Data: <ÀŸÙ•_ > C0 9F D9 95 5F 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000015F95D97280, 16 bytes long.
Data: < ŸÙ•_ > 98 9F D9 95 5F 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000015F95DDAA80, 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 0x0000015F95D96FB0, 16 bytes long.
Data: <pŸÙ•_ > 70 9F D9 95 5F 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000015F95D99F70, 992 bytes long.
Data: <°oÙ•_ ªÝ•_ > B0 6F D9 95 5F 01 00 00 80 AA DD 95 5F 01 00 00
{97} normal block at 0x0000015F95D92480, 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 0x0000015F95D910F0, 16 bytes long.
Data: <à Ù•_ > E0 03 D9 95 5F 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x0000015F95D903E0, 40 bytes long.
Data: <ð Ù•_ $Ù•_ > F0 10 D9 95 5F 01 00 00 80 24 D9 95 5F 01 00 00
{74} normal block at 0x0000015F95D91050, 16 bytes long.
Data: < êi(÷ > 80 EA 69 28 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000015F95D91D70, 16 bytes long.
Data: <@éi(÷ > 40 E9 69 28 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000015F95D913C0, 16 bytes long.
Data: <øWf(÷ > F8 57 66 28 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000015F95D91D20, 16 bytes long.
Data: <ØWf(÷ > D8 57 66 28 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000015F95D91280, 16 bytes long.
Data: <P f(÷ > 50 04 66 28 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000015F95D91E10, 16 bytes long.
Data: <0 f(÷ > 30 04 66 28 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000015F95D91230, 16 bytes long.
Data: <à f(÷ > E0 02 66 28 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000015F95D91C80, 16 bytes long.
Data: < f(÷ > 10 04 66 28 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000015F95D91FA0, 16 bytes long.
Data: <p f(÷ > 70 04 66 28 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000015F95D915F0, 16 bytes long.
Data: < Àd(÷ > 18 C0 64 28 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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