Task 38665702
| Name | test_741-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND7749_0 |
| Workunit | 31608775 |
| Created | 25 Oct 2026, 1:27:18 UTC |
| Sent | 25 Oct 2026, 2:00:02 UTC |
| Report deadline | 30 Oct 2026, 2:00:02 UTC |
| Received | 26 Oct 2026, 2:01:06 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 644440 |
| Run time | 9 hours 51 min 4 sec |
| CPU time | 9 hours 51 min 4 sec |
| Validate state | Valid |
| Credit | 600,000.00 |
| Device peak FLOPS | 8,090.66 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 751.62 MB |
| Peak swap size | 12.90 GB |
| Peak disk usage | 3.18 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
07:50:21 (65788): wrapper (7.9.26016): starting
07:50:21 (65788): 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
07:50:22 (65788): Library/usr/bin/tar.exe exited; CPU time 0.015625
07:50:22 (65788): 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\32\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\32\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
17:38:48 (65788): C:/Windows/system32/cmd.exe exited; CPU time 35464.062500
17:38:48 (65788): 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: 991288319 bytes.
Dumping objects ->
{3835512} normal block at 0x00000227F99CEAD0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835501} normal block at 0x00000227F7B06610, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835490} normal block at 0x00000227F7B06530, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835479} normal block at 0x00000227F7B064C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835468} normal block at 0x00000227F7B05FF0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835437} normal block at 0x00000227F9A173D0, 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) : {3835424} normal block at 0x00000227F7B00360, 8 bytes long.
Data: < ø' > 00 00 02 F8 27 02 00 00
{3833965} normal block at 0x00000227F7B00220, 8 bytes long.
Data: <PÉ¢ù' > 50 C9 A2 F9 27 02 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000227F7AF79C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000227F7AF8CC0, 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 0x00000227F7B06D70, 16 bytes long.
Data: <x~°÷' > 78 7E B0 F7 27 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000227F7B06D20, 16 bytes long.
Data: <P~°÷' > 50 7E B0 F7 27 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000227F7B029C0, 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 0x00000227F7B07950, 16 bytes long.
Data: <(~°÷' > 28 7E B0 F7 27 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000227F7B06C80, 16 bytes long.
Data: < ~°÷' > 00 7E B0 F7 27 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000227F7B074F0, 16 bytes long.
Data: <Ø}°÷' > D8 7D B0 F7 27 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000227F7B077C0, 16 bytes long.
Data: <°}°÷' > B0 7D B0 F7 27 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000227F7B06140, 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 0x00000227F7B06F50, 16 bytes long.
Data: <XÄ®÷' > 58 C4 AE F7 27 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000227F7B026C0, 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 0x00000227F7B06DC0, 16 bytes long.
Data: <0Ä®÷' > 30 C4 AE F7 27 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000227F7B06E60, 16 bytes long.
Data: < Ä®÷' > 08 C4 AE F7 27 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000227F7B06C30, 16 bytes long.
Data: <àî÷' > E0 C3 AE F7 27 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000227F7B07590, 16 bytes long.
Data: <¸Ã®÷' > B8 C3 AE F7 27 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000227F7B06BE0, 16 bytes long.
Data: < î÷' > 90 C3 AE F7 27 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000227F7B07AE0, 16 bytes long.
Data: <hî÷' > 68 C3 AE F7 27 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000227F7B02000, 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 0x00000227F7B07130, 16 bytes long.
Data: <@î÷' > 40 C3 AE F7 27 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000227F7AEC340, 320 bytes long.
Data: <0q°÷' °÷' > 30 71 B0 F7 27 02 00 00 00 20 B0 F7 27 02 00 00
{278} normal block at 0x00000227F7B076D0, 16 bytes long.
Data: < }°÷' > 90 7D B0 F7 27 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000227F7B06F00, 16 bytes long.
Data: <h}°÷' > 68 7D B0 F7 27 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000227F7B01FA0, 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 0x00000227F7B07770, 16 bytes long.
Data: <@}°÷' > 40 7D B0 F7 27 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000227F7B02AE0, 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 0x00000227F7B070E0, 16 bytes long.
Data: < |°÷' > 88 7C B0 F7 27 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000227F7B079F0, 16 bytes long.
Data: <`|°÷' > 60 7C B0 F7 27 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000227F7B07680, 16 bytes long.
Data: <8|°÷' > 38 7C B0 F7 27 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000227F7B075E0, 16 bytes long.
Data: < |°÷' > 10 7C B0 F7 27 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000227F7B06B90, 16 bytes long.
Data: <è{°÷' > E8 7B B0 F7 27 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000227F7B078B0, 16 bytes long.
Data: <À{°÷' > C0 7B B0 F7 27 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000227F7B07310, 16 bytes long.
Data: < e°÷' > A0 65 B0 F7 27 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000227F7B065A0, 40 bytes long.
Data: < s°÷' Ðs¡ù' > 10 73 B0 F7 27 02 00 00 D0 73 A1 F9 27 02 00 00
{264} normal block at 0x00000227F7B07810, 16 bytes long.
Data: < {°÷' > A0 7B B0 F7 27 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000227F7B07630, 16 bytes long.
Data: <x{°÷' > 78 7B B0 F7 27 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000227F7B02420, 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 0x00000227F7B07900, 16 bytes long.
Data: <P{°÷' > 50 7B B0 F7 27 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000227F7B07B50, 992 bytes long.
Data: < y°÷' $°÷' > 00 79 B0 F7 27 02 00 00 20 24 B0 F7 27 02 00 00
{96} normal block at 0x00000227F7B02300, 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 0x00000227F7B00180, 16 bytes long.
Data: <°Ð®÷' > B0 D0 AE F7 27 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x00000227F7AED0B0, 40 bytes long.
Data: < °÷' #°÷' > 80 01 B0 F7 27 02 00 00 00 23 B0 F7 27 02 00 00
{73} normal block at 0x00000227F7B004F0, 16 bytes long.
Data: < êS†ö > 80 EA 53 86 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000227F7B00400, 16 bytes long.
Data: <@éS†ö > 40 E9 53 86 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000227F7AFFAA0, 16 bytes long.
Data: <øWP†ö > F8 57 50 86 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000227F7B004A0, 16 bytes long.
Data: <ØWP†ö > D8 57 50 86 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000227F7AFFE10, 16 bytes long.
Data: <P P†ö > 50 04 50 86 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000227F7AFFFF0, 16 bytes long.
Data: <0 P†ö > 30 04 50 86 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000227F7AFFF00, 16 bytes long.
Data: <à P†ö > E0 02 50 86 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000227F7AFFA00, 16 bytes long.
Data: < P†ö > 10 04 50 86 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000227F7B00310, 16 bytes long.
Data: <p P†ö > 70 04 50 86 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000227F7B00130, 16 bytes long.
Data: < ÀN†ö > 18 C0 4E 86 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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