Task 38689166

Name test_392-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND2706_0
Workunit 31630440
Created 28 Oct 2026, 18:54:57 UTC
Sent 28 Oct 2026, 18:55:02 UTC
Report deadline 2 Nov 2026, 18:55:02 UTC
Received 28 Oct 2026, 19:14:28 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652922
Run time 18 min 52 sec
CPU time 17 min 20 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 43,943.47 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.41 MB
Peak swap size 8.49 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:56:19 (37512): wrapper (7.9.26016): starting
13:56:19 (37512): 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
13:56:20 (37512): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:56:20 (37512): 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\11\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\11\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
14:14:05 (37512): C:/Windows/system32/cmd.exe exited; CPU time 1040.562500
14:14:05 (37512): 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: 21395713 bytes.
Dumping objects ->
{3835250} normal block at 0x000002950D02D2A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835239} normal block at 0x000002950B304A10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x000002950B304D20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835217} normal block at 0x000002950B304CB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x000002950B304D90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835175} normal block at 0x000002950D07B600, 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) : {3835162} normal block at 0x000002950B2FF4B0, 8 bytes long.
 Data: <  } &#149;   > 00 00 7D 0B 95 02 00 00 
{3833961} normal block at 0x000002950B2FF6E0, 8 bytes long.
 Data: <&#176;&#227;&#248; &#149;   > B0 E3 F8 0C 95 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002950B300850, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002950B2F6910, 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 0x000002950B305E70, 16 bytes long.
 Data: <hf0 &#149;           > 68 66 30 0B 95 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002950B305DD0, 16 bytes long.
 Data: <@f0 &#149;           > 40 66 30 0B 95 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002950B2FF840, 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 0x000002950B3057E0, 16 bytes long.
 Data: < f0 &#149;           > 18 66 30 0B 95 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002950B3054C0, 16 bytes long.
 Data: <&#240;e0 &#149;           > F0 65 30 0B 95 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002950B305740, 16 bytes long.
 Data: <&#200;e0 &#149;           > C8 65 30 0B 95 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002950B306000, 16 bytes long.
 Data: <&#160;e0 &#149;           > A0 65 30 0B 95 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002950B3048C0, 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 0x000002950B305920, 16 bytes long.
 Data: < &#230;/ &#149;           > 98 E6 2F 0B 95 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002950B2FFAE0, 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 0x000002950B305D80, 16 bytes long.
 Data: <p&#230;/ &#149;           > 70 E6 2F 0B 95 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002950B305EC0, 16 bytes long.
 Data: <H&#230;/ &#149;           > 48 E6 2F 0B 95 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002950B305AB0, 16 bytes long.
 Data: < &#230;/ &#149;           > 20 E6 2F 0B 95 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002950B305470, 16 bytes long.
 Data: <&#248;&#229;/ &#149;           > F8 E5 2F 0B 95 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002950B305C40, 16 bytes long.
 Data: <&#208;&#229;/ &#149;           > D0 E5 2F 0B 95 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002950B305FB0, 16 bytes long.
 Data: <&#168;&#229;/ &#149;           > A8 E5 2F 0B 95 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002950B300260, 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 0x000002950B305A60, 16 bytes long.
 Data: < &#229;/ &#149;           > 80 E5 2F 0B 95 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002950B2FE580, 320 bytes long.
 Data: <`Z0 &#149;   ` 0 &#149;   > 60 5A 30 0B 95 02 00 00 60 02 30 0B 95 02 00 00 
{276} normal block at 0x000002950B305CE0, 16 bytes long.
 Data: < e0 &#149;           > 80 65 30 0B 95 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002950B305BF0, 16 bytes long.
 Data: <Xe0 &#149;           > 58 65 30 0B 95 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002950B2FFF60, 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 0x000002950B305B50, 16 bytes long.
 Data: <0e0 &#149;           > 30 65 30 0B 95 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002950B2FFDE0, 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 0x000002950B305970, 16 bytes long.
 Data: <xd0 &#149;           > 78 64 30 0B 95 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002950B305560, 16 bytes long.
 Data: <Pd0 &#149;           > 50 64 30 0B 95 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002950B3062D0, 16 bytes long.
 Data: <(d0 &#149;           > 28 64 30 0B 95 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002950B305D30, 16 bytes long.
 Data: < d0 &#149;           > 00 64 30 0B 95 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002950B3060A0, 16 bytes long.
 Data: <&#216;c0 &#149;           > D8 63 30 0B 95 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002950B306280, 16 bytes long.
 Data: <&#176;c0 &#149;           > B0 63 30 0B 95 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002950B305BA0, 16 bytes long.
 Data: < N0 &#149;           > 00 4E 30 0B 95 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002950B304E00, 40 bytes long.
 Data: <&#160;[0 &#149;    &#182;  &#149;   > A0 5B 30 0B 95 02 00 00 00 B6 07 0D 95 02 00 00 
{262} normal block at 0x000002950B306050, 16 bytes long.
 Data: < c0 &#149;           > 90 63 30 0B 95 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002950B305B00, 16 bytes long.
 Data: <hc0 &#149;           > 68 63 30 0B 95 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002950B2FFD80, 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 0x000002950B305790, 16 bytes long.
 Data: <@c0 &#149;           > 40 63 30 0B 95 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002950B306340, 992 bytes long.
 Data: < W0 &#149;    &#253;/ &#149;   > 90 57 30 0B 95 02 00 00 80 FD 2F 0B 95 02 00 00 
{94} normal block at 0x000002950B300740, 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 0x000002950B2FF2D0, 16 bytes long.
 Data: <&#240;&#210;. &#149;           > F0 D2 2E 0B 95 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002950B2ED2F0, 40 bytes long.
 Data: <&#208;&#242;/ &#149;   @ 0 &#149;   > D0 F2 2F 0B 95 02 00 00 40 07 30 0B 95 02 00 00 
{71} normal block at 0x000002950B2FEE20, 16 bytes long.
 Data: < &#234; Z&#246;           > 80 EA 17 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002950B2FF0F0, 16 bytes long.
 Data: <@&#233; Z&#246;           > 40 E9 17 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002950B2FEA60, 16 bytes long.
 Data: <&#248;W Z&#246;           > F8 57 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002950B2FEEC0, 16 bytes long.
 Data: <&#216;W Z&#246;           > D8 57 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002950B2FF140, 16 bytes long.
 Data: <P  Z&#246;           > 50 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002950B2FF730, 16 bytes long.
 Data: <0  Z&#246;           > 30 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002950B2FEE70, 16 bytes long.
 Data: <&#224;  Z&#246;           > E0 02 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002950B2FE9C0, 16 bytes long.
 Data: <   Z&#246;           > 10 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002950B2FF190, 16 bytes long.
 Data: <p  Z&#246;           > 70 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002950B2FEA10, 16 bytes long.
 Data: < &#192; Z&#246;           > 18 C0 12 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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