Task 38688338

Name test_681-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND5758_0
Workunit 31629693
Created 28 Oct 2026, 13:13:15 UTC
Sent 28 Oct 2026, 13:13:19 UTC
Report deadline 2 Nov 2026, 13:13:19 UTC
Received 28 Oct 2026, 13:49:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610949
Run time 34 min 54 sec
CPU time 28 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,317.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 715.43 MB
Peak swap size 9.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:15:01 (27472): wrapper (7.9.26016): starting
22:15:01 (27472): 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
22:15:02 (27472): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:15:02 (27472): 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\18\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\18\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
22:48:57 (27472): C:/Windows/system32/cmd.exe exited; CPU time 1733.687500
22:48:57 (27472): 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: 48170899 bytes.
Dumping objects ->
{3835380} normal block at 0x000001FC69794050, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835369} normal block at 0x000001FC69793BF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835358} normal block at 0x000001FC69794130, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835347} normal block at 0x000001FC697941A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835336} normal block at 0x000001FC69793F70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835305} normal block at 0x000001FC65EFDBA0, 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) : {3835292} normal block at 0x000001FC65EBE860, 8 bytes long.
 Data: <  'f    > 00 00 27 66 FC 01 00 00 
{3834077} normal block at 0x000001FC65EBEA40, 8 bytes long.
 Data: <P  i    > 50 E3 8B 69 FC 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001FC65EA0430, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001FC65EA9770, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000001FC65EBE7C0, 16 bytes long.
 Data: <8  e            > 38 E5 EB 65 FC 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001FC65EBE950, 16 bytes long.
 Data: <   e            > 10 E5 EB 65 FC 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001FC65EB72A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000001FC65EBEFE0, 16 bytes long.
 Data: <   e            > E8 E4 EB 65 FC 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001FC65EBED60, 16 bytes long.
 Data: <&#192;  e            > C0 E4 EB 65 FC 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001FC65EBB180, 16 bytes long.
 Data: <   e            > 98 E4 EB 65 FC 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001FC65EBB0E0, 16 bytes long.
 Data: <p  e            > 70 E4 EB 65 FC 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001FC65EB9230, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000001FC65EBB040, 16 bytes long.
 Data: <h&#223; e            > 68 DF EB 65 FC 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FC65EB71E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000001FC65EBAD70, 16 bytes long.
 Data: <@&#223; e            > 40 DF EB 65 FC 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FC65EBA550, 16 bytes long.
 Data: < &#223; e            > 18 DF EB 65 FC 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001FC65EBAD20, 16 bytes long.
 Data: < &#222; e            > F0 DE EB 65 FC 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FC65EBACD0, 16 bytes long.
 Data: <&#200;&#222; e            > C8 DE EB 65 FC 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FC65EBAEB0, 16 bytes long.
 Data: < &#222; e            > A0 DE EB 65 FC 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FC65EBAC80, 16 bytes long.
 Data: <x&#222; e            > 78 DE EB 65 FC 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FC65EB6760, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000001FC65EBAB40, 16 bytes long.
 Data: <P&#222; e            > 50 DE EB 65 FC 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FC65EBDE50, 320 bytes long.
 Data: <@&#171; e    `g e    > 40 AB EB 65 FC 01 00 00 60 67 EB 65 FC 01 00 00 
{281} normal block at 0x000001FC65EBA500, 16 bytes long.
 Data: <P  e            > 50 E4 EB 65 FC 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FC65EBAAF0, 16 bytes long.
 Data: <(  e            > 28 E4 EB 65 FC 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FC65EB7360, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000001FC65EBB3B0, 16 bytes long.
 Data: <   e            > 00 E4 EB 65 FC 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FC65EB6A60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000001FC65EBAE60, 16 bytes long.
 Data: <H  e            > 48 E3 EB 65 FC 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FC65EBABE0, 16 bytes long.
 Data: <   e            > 20 E3 EB 65 FC 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FC65EBA4B0, 16 bytes long.
 Data: <   e            > F8 E2 EB 65 FC 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FC65EBB360, 16 bytes long.
 Data: <&#208;  e            > D0 E2 EB 65 FC 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FC65EBAA50, 16 bytes long.
 Data: <&#168;  e            > A8 E2 EB 65 FC 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FC65EBB2C0, 16 bytes long.
 Data: <   e            > 80 E2 EB 65 FC 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FC65EBAA00, 16 bytes long.
 Data: <&#192;  e            > C0 91 EB 65 FC 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FC65EB91C0, 40 bytes long.
 Data: < &#170; e     &#219; e    > 00 AA EB 65 FC 01 00 00 A0 DB EF 65 FC 01 00 00 
{267} normal block at 0x000001FC65EBB220, 16 bytes long.
 Data: <`  e            > 60 E2 EB 65 FC 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FC65EBA640, 16 bytes long.
 Data: <8  e            > 38 E2 EB 65 FC 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FC65EB6700, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000001FC65EBB310, 16 bytes long.
 Data: <   e            > 10 E2 EB 65 FC 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FC65EBE210, 992 bytes long.
 Data: < &#179; e     g e    > 10 B3 EB 65 FC 01 00 00 00 67 EB 65 FC 01 00 00 
{99} normal block at 0x000001FC65EB6BE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000001FC65EBAE10, 16 bytes long.
 Data: <   e            > 20 8F EB 65 FC 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000001FC65EB8F20, 40 bytes long.
 Data: < &#174; e     k e    > 10 AE EB 65 FC 01 00 00 E0 6B EB 65 FC 01 00 00 
{74} normal block at 0x000001FC65EBA910, 16 bytes long.
 Data: <  &#196;             > 80 EA C4 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001FC65EBA9B0, 16 bytes long.
 Data: <@ &#196;             > 40 E9 C4 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001FC65EBA730, 16 bytes long.
 Data: < W&#193;             > F8 57 C1 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001FC65EBA6E0, 16 bytes long.
 Data: <&#216;W&#193;             > D8 57 C1 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001FC65EBA870, 16 bytes long.
 Data: <P &#193;             > 50 04 C1 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001FC65EBB090, 16 bytes long.
 Data: <0 &#193;             > 30 04 C1 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001FC65EACC90, 16 bytes long.
 Data: <  &#193;             > E0 02 C1 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001FC65EADA00, 16 bytes long.
 Data: <  &#193;             > 10 04 C1 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001FC65EAD8C0, 16 bytes long.
 Data: <p &#193;             > 70 04 C1 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FC65EADBE0, 16 bytes long.
 Data: < &#192;&#191;             > 18 C0 BF 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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