Task 38659794

Name test_1704-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND1544_0
Workunit 31603332
Created 24 Oct 2026, 13:37:10 UTC
Sent 24 Oct 2026, 16:24:23 UTC
Report deadline 29 Oct 2026, 16:24:23 UTC
Received 24 Oct 2026, 21:51:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 613683
Run time 5 hours 27 min 9 sec
CPU time 1 days 19 hours 37 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 696.03 MB
Peak swap size 3.84 GB
Peak disk usage 4.12 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:40:17 (23180): wrapper (7.9.26016): starting
18:40:17 (23180): 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
18:40:20 (23180): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:40:20 (23180): 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 'E:\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 'E:\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
19:13:36 (23180): C:/Windows/system32/cmd.exe exited; CPU time 157836.875000
19:13:36 (23180): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 37695997 bytes.
Dumping objects ->
{3835197} normal block at 0x000002217F87E110, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835186} normal block at 0x0000022101544C20, 32 bytes long.
 Data: <HOME=E:\BOINC\sl> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835175} normal block at 0x00000221015444A0, 32 bytes long.
 Data: <TMP=E:\BOINC\slo> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835164} normal block at 0x00000221015454C0, 32 bytes long.
 Data: <TEMP=E:\BOINC\sl> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835153} normal block at 0x0000022101544440, 32 bytes long.
 Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C 
{3835122} normal block at 0x000002217F87E340, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835109} normal block at 0x000002217F877D90, 8 bytes long.
 Data: <  &#132; !   > 00 00 84 7F 21 02 00 00 
{3833953} normal block at 0x000002217F877890, 8 bytes long.
 Data: < gT !   > 00 67 54 01 21 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000002217F8817B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002217F87DA50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000002217F8829D0, 16 bytes long.
 Data: <&#168;8  !           > A8 38 88 7F 21 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002217F883290, 16 bytes long.
 Data: < 8  !           > 80 38 88 7F 21 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002217F87C590, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000002217F882E80, 16 bytes long.
 Data: <X8  !           > 58 38 88 7F 21 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002217F883150, 16 bytes long.
 Data: <08  !           > 30 38 88 7F 21 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002217F882610, 16 bytes long.
 Data: < 8  !           > 08 38 88 7F 21 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002217F882890, 16 bytes long.
 Data: <&#224;7  !           > E0 37 88 7F 21 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002217F87E500, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000002217F883470, 16 bytes long.
 Data: <&#216;`&#134; !           > D8 60 86 7F 21 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002217F87CEF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000002217F882CF0, 16 bytes long.
 Data: <&#176;`&#134; !           > B0 60 86 7F 21 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002217F882980, 16 bytes long.
 Data: < `&#134; !           > 88 60 86 7F 21 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002217F8826B0, 16 bytes long.
 Data: <``&#134; !           > 60 60 86 7F 21 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002217F882CA0, 16 bytes long.
 Data: <8`&#134; !           > 38 60 86 7F 21 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002217F882840, 16 bytes long.
 Data: < `&#134; !           > 10 60 86 7F 21 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002217F883010, 16 bytes long.
 Data: <&#232;_&#134; !           > E8 5F 86 7F 21 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002217F87CB30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x000002217F882BB0, 16 bytes long.
 Data: <&#192;_&#134; !           > C0 5F 86 7F 21 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002217F865FC0, 320 bytes long.
 Data: <&#176;+  !   0&#203;&#135; !   > B0 2B 88 7F 21 02 00 00 30 CB 87 7F 21 02 00 00 
{272} normal block at 0x000002217F883240, 16 bytes long.
 Data: <&#192;7  !           > C0 37 88 7F 21 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002217F882C00, 16 bytes long.
 Data: < 7  !           > 98 37 88 7F 21 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002217F87C530, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000002217F883420, 16 bytes long.
 Data: <p7  !           > 70 37 88 7F 21 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002217F87C470, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x000002217F882B60, 16 bytes long.
 Data: <&#184;6  !           > B8 36 88 7F 21 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002217F882FC0, 16 bytes long.
 Data: < 6  !           > 90 36 88 7F 21 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002217F882AC0, 16 bytes long.
 Data: <h6  !           > 68 36 88 7F 21 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002217F882F70, 16 bytes long.
 Data: <@6  !           > 40 36 88 7F 21 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002217F8831F0, 16 bytes long.
 Data: < 6  !           > 18 36 88 7F 21 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002217F882930, 16 bytes long.
 Data: <&#240;5  !           > F0 35 88 7F 21 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002217F882A70, 16 bytes long.
 Data: < &#228;&#135; !           > 20 E4 87 7F 21 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002217F87E420, 40 bytes long.
 Data: <p*  !   @&#227;&#135; !   > 70 2A 88 7F 21 02 00 00 40 E3 87 7F 21 02 00 00 
{258} normal block at 0x000002217F8827F0, 16 bytes long.
 Data: <&#208;5  !           > D0 35 88 7F 21 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002217F8828E0, 16 bytes long.
 Data: <&#168;5  !           > A8 35 88 7F 21 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002217F87C710, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000002217F882B10, 16 bytes long.
 Data: < 5  !           > 80 35 88 7F 21 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002217F883580, 992 bytes long.
 Data: < +  !    &#199;&#135; !   > 10 2B 88 7F 21 02 00 00 10 C7 87 7F 21 02 00 00 
{90} normal block at 0x000002217F87C5F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000002217F8782E0, 16 bytes long.
 Data: <&#192;&#223;&#135; !           > C0 DF 87 7F 21 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000002217F87DFC0, 40 bytes long.
 Data: <&#224;&#130;&#135; !   &#240;&#197;&#135; !   > E0 82 87 7F 21 02 00 00 F0 C5 87 7F 21 02 00 00 
{67} normal block at 0x000002217F877D40, 16 bytes long.
 Data: < &#234; &#156;&#247;           > 80 EA 0D 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002217F878060, 16 bytes long.
 Data: <@&#233; &#156;&#247;           > 40 E9 0D 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002217F8773E0, 16 bytes long.
 Data: <&#248;W &#156;&#247;           > F8 57 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002217F877A20, 16 bytes long.
 Data: <&#216;W &#156;&#247;           > D8 57 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002217F8777F0, 16 bytes long.
 Data: <P  &#156;&#247;           > 50 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002217F877CF0, 16 bytes long.
 Data: <0  &#156;&#247;           > 30 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002217F877F70, 16 bytes long.
 Data: <&#224;  &#156;&#247;           > E0 02 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002217F878290, 16 bytes long.
 Data: <   &#156;&#247;           > 10 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002217F8781F0, 16 bytes long.
 Data: <p  &#156;&#247;           > 70 04 0A 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002217F877ED0, 16 bytes long.
 Data: < &#192; &#156;&#247;           > 18 C0 08 9C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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