Task 38698278

Name test_294-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND3690_0
Workunit 31638805
Created 2 Nov 2026, 8:04:23 UTC
Sent 2 Nov 2026, 8:04:25 UTC
Report deadline 7 Nov 2026, 8:04:25 UTC
Received 2 Nov 2026, 11:33:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 485535
Run time 1 hours 3 min 41 sec
CPU time 56 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,200.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 677.07 MB
Peak swap size 2.39 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:30:42 (11784): wrapper (7.9.26016): starting
11:30:42 (11784): 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
11:30:45 (11784): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:30:45 (11784): 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\1\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\1\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
12:31:51 (11784): C:/Windows/system32/cmd.exe exited; CPU time 3363.125000
12:31:51 (11784): 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: 50604037 bytes.
Dumping objects ->
{3835416} normal block at 0x000002898A3C1530, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835405} normal block at 0x000002898A3C0CE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835394} normal block at 0x000002898A3C0AB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835383} normal block at 0x000002898A3C1370, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835372} normal block at 0x000002898A3C1760, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835341} normal block at 0x000002898A4ABCF0, 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) : {3835328} normal block at 0x0000028988A46D70, 8 bytes long.
 Data: <  &#156; &#137;   > 00 00 9C 88 89 02 00 00 
{3833949} normal block at 0x0000028988A46D20, 8 bytes long.
 Data: <&#160;lP&#138;&#137;   > A0 6C 50 8A 89 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000028988A50A90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000028988A35C70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000028988A52480, 16 bytes long.
 Data: < 2&#165; &#137;           > 08 32 A5 88 89 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000028988A52430, 16 bytes long.
 Data: <&#224;1&#165; &#137;           > E0 31 A5 88 89 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000028988A4C930, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x0000028988A526B0, 16 bytes long.
 Data: <&#184;1&#165; &#137;           > B8 31 A5 88 89 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000028988A527A0, 16 bytes long.
 Data: < 1&#165; &#137;           > 90 31 A5 88 89 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000028988A52750, 16 bytes long.
 Data: <h1&#165; &#137;           > 68 31 A5 88 89 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000028988A52520, 16 bytes long.
 Data: <@1&#165; &#137;           > 40 31 A5 88 89 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000028988A4B020, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000028988A52390, 16 bytes long.
 Data: < \&#163; &#137;           > 08 5C A3 88 89 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000028988A4C090, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000028988A522F0, 16 bytes long.
 Data: <&#224;[&#163; &#137;           > E0 5B A3 88 89 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000028988A51B20, 16 bytes long.
 Data: <&#184;[&#163; &#137;           > B8 5B A3 88 89 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000028988A52250, 16 bytes long.
 Data: < [&#163; &#137;           > 90 5B A3 88 89 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000028988A522A0, 16 bytes long.
 Data: <h[&#163; &#137;           > 68 5B A3 88 89 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000028988A521B0, 16 bytes long.
 Data: <@[&#163; &#137;           > 40 5B A3 88 89 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000028988A51F30, 16 bytes long.
 Data: < [&#163; &#137;           > 18 5B A3 88 89 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000028988A4CC30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x0000028988A51CB0, 16 bytes long.
 Data: <&#240;Z&#163; &#137;           > F0 5A A3 88 89 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000028988A35AF0, 320 bytes long.
 Data: <&#176; &#165; &#137;   0&#204;&#164; &#137;   > B0 1C A5 88 89 02 00 00 30 CC A4 88 89 02 00 00 
{270} normal block at 0x0000028988A52160, 16 bytes long.
 Data: < 1&#165; &#137;           > 20 31 A5 88 89 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000028988A51D00, 16 bytes long.
 Data: <&#248;0&#165; &#137;           > F8 30 A5 88 89 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000028988A4C210, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x0000028988A51C10, 16 bytes long.
 Data: <&#208;0&#165; &#137;           > D0 30 A5 88 89 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000028988A4C870, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x0000028988A52200, 16 bytes long.
 Data: < 0&#165; &#137;           > 18 30 A5 88 89 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000028988A52110, 16 bytes long.
 Data: <&#240;/&#165; &#137;           > F0 2F A5 88 89 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000028988A51DF0, 16 bytes long.
 Data: <&#200;/&#165; &#137;           > C8 2F A5 88 89 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000028988A52340, 16 bytes long.
 Data: <&#160;/&#165; &#137;           > A0 2F A5 88 89 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000028988A52070, 16 bytes long.
 Data: <x/&#165; &#137;           > 78 2F A5 88 89 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000028988A52A20, 16 bytes long.
 Data: <P/&#165; &#137;           > 50 2F A5 88 89 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000028988A51E90, 16 bytes long.
 Data: < &#173;&#164; &#137;           > 10 AD A4 88 89 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000028988A4AD10, 40 bytes long.
 Data: <  &#165; &#137;   &#240;&#188;J&#138;&#137;   > 90 1E A5 88 89 02 00 00 F0 BC 4A 8A 89 02 00 00 
{256} normal block at 0x0000028988A52020, 16 bytes long.
 Data: <0/&#165; &#137;           > 30 2F A5 88 89 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000028988A51C60, 16 bytes long.
 Data: < /&#165; &#137;           > 08 2F A5 88 89 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000028988A4CE70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000028988A52A70, 16 bytes long.
 Data: <&#224;.&#165; &#137;           > E0 2E A5 88 89 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000028988A52EE0, 992 bytes long.
 Data: <p*&#165; &#137;   p&#206;&#164; &#137;   > 70 2A A5 88 89 02 00 00 70 CE A4 88 89 02 00 00 
{88} normal block at 0x0000028988A4C630, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x0000028988A465F0, 16 bytes long.
 Data: <&#208;&#174;&#164; &#137;           > D0 AE A4 88 89 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000028988A4AED0, 40 bytes long.
 Data: <&#240;e&#164; &#137;   0&#198;&#164; &#137;   > F0 65 A4 88 89 02 00 00 30 C6 A4 88 89 02 00 00 
{65} normal block at 0x0000028988A46C30, 16 bytes long.
 Data: < &#234;&#241;T&#246;           > 80 EA F1 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000028988A46500, 16 bytes long.
 Data: <@&#233;&#241;T&#246;           > 40 E9 F1 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000028988A46280, 16 bytes long.
 Data: <&#248;W&#238;T&#246;           > F8 57 EE 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000028988A46230, 16 bytes long.
 Data: <&#216;W&#238;T&#246;           > D8 57 EE 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000028988A46BE0, 16 bytes long.
 Data: <P &#238;T&#246;           > 50 04 EE 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000028988A467D0, 16 bytes long.
 Data: <0 &#238;T&#246;           > 30 04 EE 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000028988A46B40, 16 bytes long.
 Data: <&#224; &#238;T&#246;           > E0 02 EE 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000028988A46780, 16 bytes long.
 Data: <  &#238;T&#246;           > 10 04 EE 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000028988A46A50, 16 bytes long.
 Data: <p &#238;T&#246;           > 70 04 EE 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000028988A46DC0, 16 bytes long.
 Data: < &#192;&#236;T&#246;           > 18 C0 EC 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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