Task 38681638

Name test_941-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND6837_0
Workunit 31623298
Created 27 Oct 2026, 4:44:56 UTC
Sent 27 Oct 2026, 4:45:11 UTC
Report deadline 1 Nov 2026, 4:45:11 UTC
Received 27 Oct 2026, 5:19:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654838
Run time 15 min 23 sec
CPU time 14 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.23 MB
Peak swap size 13.19 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:04:34 (31340): wrapper (7.9.26016): starting
01:04:34 (31340): 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
01:04:35 (31340): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:04:35 (31340): 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\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 'C:\ProgramData\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: Exiting with failure status due to previous errors
01:19:19 (31340): C:/Windows/system32/cmd.exe exited; CPU time 881.812500
01:19:19 (31340): 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: 21311277 bytes.
Dumping objects ->
{3835501} normal block at 0x000002385EB41A40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835490} normal block at 0x000002385EB41AB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835479} normal block at 0x000002385EB420D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835468} normal block at 0x000002385EB42060, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x000002385EB41F10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835426} normal block at 0x000002386078A860, 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) : {3835413} normal block at 0x000002385EB3C920, 8 bytes long.
 Data: <  	_8   > 00 00 09 5F 38 02 00 00 
{3833939} normal block at 0x000002385EB3C8D0, 8 bytes long.
 Data: <P{&#130;`8   > 50 7B 82 60 38 02 00 00 
..\zip\boinc_zip.cpp(122) : {301} normal block at 0x000002385EB3CF30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002385EB34B50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{285} normal block at 0x000002385EB42DF0, 16 bytes long.
 Data: < ,&#180;^8           > 08 2C B4 5E 38 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002385EB43840, 16 bytes long.
 Data: <&#224;+&#180;^8           > E0 2B B4 5E 38 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002385EB41930, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{282} normal block at 0x000002385EB43BB0, 16 bytes long.
 Data: <&#184;+&#180;^8           > B8 2B B4 5E 38 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002385EB43200, 16 bytes long.
 Data: < +&#180;^8           > 90 2B B4 5E 38 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002385EB43A70, 16 bytes long.
 Data: <h+&#180;^8           > 68 2B B4 5E 38 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002385EB43A20, 16 bytes long.
 Data: <@+&#180;^8           > 40 2B B4 5E 38 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002385EB41C70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{277} normal block at 0x000002385EB42F80, 16 bytes long.
 Data: <(&#132;&#179;^8           > 28 84 B3 5E 38 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002385EB40DF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{275} normal block at 0x000002385EB43160, 16 bytes long.
 Data: < &#132;&#179;^8           > 00 84 B3 5E 38 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002385EB43700, 16 bytes long.
 Data: <&#216;&#131;&#179;^8           > D8 83 B3 5E 38 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002385EB433E0, 16 bytes long.
 Data: <&#176;&#131;&#179;^8           > B0 83 B3 5E 38 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002385EB43B60, 16 bytes long.
 Data: < &#131;&#179;^8           > 88 83 B3 5E 38 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002385EB43520, 16 bytes long.
 Data: <`&#131;&#179;^8           > 60 83 B3 5E 38 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002385EB43020, 16 bytes long.
 Data: <8&#131;&#179;^8           > 38 83 B3 5E 38 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002385EB416F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{267} normal block at 0x000002385EB43570, 16 bytes long.
 Data: < &#131;&#179;^8           > 10 83 B3 5E 38 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002385EB38310, 320 bytes long.
 Data: <p5&#180;^8   &#240; &#180;^8   > 70 35 B4 5E 38 02 00 00 F0 16 B4 5E 38 02 00 00 
{265} normal block at 0x000002385EB43340, 16 bytes long.
 Data: < +&#180;^8           > 20 2B B4 5E 38 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002385EB43930, 16 bytes long.
 Data: <&#248;*&#180;^8           > F8 2A B4 5E 38 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002385EB41150, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{262} normal block at 0x000002385EB42F30, 16 bytes long.
 Data: <&#208;*&#180;^8           > D0 2A B4 5E 38 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002385EB417B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{260} normal block at 0x000002385EB437F0, 16 bytes long.
 Data: < *&#180;^8           > 18 2A B4 5E 38 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002385EB439D0, 16 bytes long.
 Data: <&#240;)&#180;^8           > F0 29 B4 5E 38 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002385EB430C0, 16 bytes long.
 Data: <&#200;)&#180;^8           > C8 29 B4 5E 38 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002385EB437A0, 16 bytes long.
 Data: <&#160;)&#180;^8           > A0 29 B4 5E 38 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002385EB3C150, 16 bytes long.
 Data: <x)&#180;^8           > 78 29 B4 5E 38 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002385EB3C100, 16 bytes long.
 Data: <P)&#180;^8           > 50 29 B4 5E 38 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002385EB3BE30, 16 bytes long.
 Data: <  &#180;^8           > 80 1F B4 5E 38 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002385EB41F80, 40 bytes long.
 Data: <0&#190;&#179;^8   `&#168;x`8   > 30 BE B3 5E 38 02 00 00 60 A8 78 60 38 02 00 00 
{251} normal block at 0x000002385EB3BFC0, 16 bytes long.
 Data: <0)&#180;^8           > 30 29 B4 5E 38 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000002385EB3C1F0, 16 bytes long.
 Data: < )&#180;^8           > 08 29 B4 5E 38 02 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x000002385EB41690, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{248} normal block at 0x000002385EB3BC00, 16 bytes long.
 Data: <&#224;(&#180;^8           > E0 28 B4 5E 38 02 00 00 00 00 00 00 00 00 00 00 
{247} normal block at 0x000002385EB428E0, 992 bytes long.
 Data: < &#188;&#179;^8     &#180;^8   > 00 BC B3 5E 38 02 00 00 90 16 B4 5E 38 02 00 00 
{83} normal block at 0x000002385EB41090, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{82} normal block at 0x000002385EB3BB60, 16 bytes long.
 Data: <p&#138;&#178;^8           > 70 8A B2 5E 38 02 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000002385EB28A70, 40 bytes long.
 Data: <`&#187;&#179;^8     &#180;^8   > 60 BB B3 5E 38 02 00 00 90 10 B4 5E 38 02 00 00 
{60} normal block at 0x000002385EB3BAC0, 16 bytes long.
 Data: < &#234;^S&#247;           > 80 EA 5E 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002385EB3C470, 16 bytes long.
 Data: <@&#233;^S&#247;           > 40 E9 5E 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002385EB3C970, 16 bytes long.
 Data: <&#248;W[S&#247;           > F8 57 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002385EB3C880, 16 bytes long.
 Data: <&#216;W[S&#247;           > D8 57 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002385EB3BED0, 16 bytes long.
 Data: <P [S&#247;           > 50 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002385EB3C790, 16 bytes long.
 Data: <0 [S&#247;           > 30 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002385EB3C740, 16 bytes long.
 Data: <&#224; [S&#247;           > E0 02 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000002385EB3BE80, 16 bytes long.
 Data: <  [S&#247;           > 10 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x000002385EB3BC50, 16 bytes long.
 Data: <p [S&#247;           > 70 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{51} normal block at 0x000002385EB3BD40, 16 bytes long.
 Data: < &#192;YS&#247;           > 18 C0 59 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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