Task 38676270

Name test_1939-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND5925_0
Workunit 31618198
Created 26 Oct 2026, 10:47:50 UTC
Sent 26 Oct 2026, 10:47:59 UTC
Report deadline 31 Oct 2026, 10:47:59 UTC
Received 26 Oct 2026, 11:42:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654845
Run time 24 min 47 sec
CPU time 18 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,075.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.38 MB
Peak swap size 1.67 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:17:20 (11152): wrapper (7.9.26016): starting
13:17:20 (11152): 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
13:17:22 (11152): Library/usr/bin/tar.exe exited; CPU time 0.015625
13:17:22 (11152): 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 'D:\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 'D:\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
13:40:14 (11152): C:/Windows/system32/cmd.exe exited; CPU time 1125.031250
13:40:14 (11152): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 bytes in 8 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: 16897617 bytes.
Dumping objects ->
{3835468} normal block at 0x000002D572BBD250, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x000002D572BBCCA0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835446} normal block at 0x000002D572BBD100, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835435} normal block at 0x000002D57107B9E0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835424} normal block at 0x000002D57107B970, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835393} normal block at 0x000002D572C322F0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835382} normal block at 0x000002D572C906F0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835379} normal block at 0x000002D5710770A0, 8 bytes long.
 Data: <  &#174;r&#213;   > 00 00 AE 72 D5 02 00 00 
{3834658} normal block at 0x000002D572C90B50, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x000002D571077500, 8 bytes long.
 Data: <&#208; &#201;r&#213;   > D0 0E C9 72 D5 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000002D5710803A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002D57106A500, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x000002D5710818E0, 16 bytes long.
 Data: <&#216;) q&#213;           > D8 29 08 71 D5 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002D571081890, 16 bytes long.
 Data: <&#176;) q&#213;           > B0 29 08 71 D5 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002D57107D150, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x000002D571082010, 16 bytes long.
 Data: < ) q&#213;           > 88 29 08 71 D5 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002D571082240, 16 bytes long.
 Data: <`) q&#213;           > 60 29 08 71 D5 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002D571081FC0, 16 bytes long.
 Data: <8) q&#213;           > 38 29 08 71 D5 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002D571081520, 16 bytes long.
 Data: < ) q&#213;           > 10 29 08 71 D5 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002D57107B5F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x000002D571081F70, 16 bytes long.
 Data: <h&#198; q&#213;           > 68 C6 07 71 D5 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002D57107CDF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x000002D5710814D0, 16 bytes long.
 Data: <@&#198; q&#213;           > 40 C6 07 71 D5 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002D571081F20, 16 bytes long.
 Data: < &#198; q&#213;           > 18 C6 07 71 D5 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002D571081430, 16 bytes long.
 Data: <&#240;&#197; q&#213;           > F0 C5 07 71 D5 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002D5710813E0, 16 bytes long.
 Data: <&#200;&#197; q&#213;           > C8 C5 07 71 D5 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002D571081480, 16 bytes long.
 Data: <&#160;&#197; q&#213;           > A0 C5 07 71 D5 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002D571081ED0, 16 bytes long.
 Data: <x&#197; q&#213;           > 78 C5 07 71 D5 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002D57107C790, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x000002D571081A20, 16 bytes long.
 Data: <P&#197; q&#213;           > 50 C5 07 71 D5 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002D57107C550, 320 bytes long.
 Data: <   q&#213;    &#199; q&#213;   > 20 1A 08 71 D5 02 00 00 90 C7 07 71 D5 02 00 00 
{269} normal block at 0x000002D571081390, 16 bytes long.
 Data: <&#240;( q&#213;           > F0 28 08 71 D5 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002D5710817F0, 16 bytes long.
 Data: <&#200;( q&#213;           > C8 28 08 71 D5 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002D57107D210, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x000002D571081840, 16 bytes long.
 Data: <&#160;( q&#213;           > A0 28 08 71 D5 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002D57107C8B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x000002D5710821A0, 16 bytes long.
 Data: <&#232;' q&#213;           > E8 27 08 71 D5 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002D571081C00, 16 bytes long.
 Data: <&#192;' q&#213;           > C0 27 08 71 D5 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002D5710819D0, 16 bytes long.
 Data: < ' q&#213;           > 98 27 08 71 D5 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002D571081E30, 16 bytes long.
 Data: <p' q&#213;           > 70 27 08 71 D5 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002D5710821F0, 16 bytes long.
 Data: <H' q&#213;           > 48 27 08 71 D5 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002D571081750, 16 bytes long.
 Data: < ' q&#213;           > 20 27 08 71 D5 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002D571081BB0, 16 bytes long.
 Data: < &#181; q&#213;           > 10 B5 07 71 D5 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002D57107B510, 40 bytes long.
 Data: <&#176;  q&#213;   &#240;"&#195;r&#213;   > B0 1B 08 71 D5 02 00 00 F0 22 C3 72 D5 02 00 00 
{255} normal block at 0x000002D571081700, 16 bytes long.
 Data: < ' q&#213;           > 00 27 08 71 D5 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002D571082100, 16 bytes long.
 Data: <&#216;& q&#213;           > D8 26 08 71 D5 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002D57107D2D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x000002D571081CF0, 16 bytes long.
 Data: <&#176;& q&#213;           > B0 26 08 71 D5 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000002D5710826B0, 992 bytes long.
 Data: <&#240;  q&#213;   &#208;&#210; q&#213;   > F0 1C 08 71 D5 02 00 00 D0 D2 07 71 D5 02 00 00 
{87} normal block at 0x000002D57107D510, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x000002D571076D30, 16 bytes long.
 Data: <0&#187; q&#213;           > 30 BB 07 71 D5 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000002D57107BB30, 40 bytes long.
 Data: <0m q&#213;    &#213; q&#213;   > 30 6D 07 71 D5 02 00 00 10 D5 07 71 D5 02 00 00 
{64} normal block at 0x000002D5710772D0, 16 bytes long.
 Data: < &#234;3&#174;&#247;           > 80 EA 33 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002D571076970, 16 bytes long.
 Data: <@&#233;3&#174;&#247;           > 40 E9 33 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002D571076B00, 16 bytes long.
 Data: <&#248;W0&#174;&#247;           > F8 57 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002D571077280, 16 bytes long.
 Data: <&#216;W0&#174;&#247;           > D8 57 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002D571076FB0, 16 bytes long.
 Data: <P 0&#174;&#247;           > 50 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002D571076AB0, 16 bytes long.
 Data: <0 0&#174;&#247;           > 30 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002D571076EC0, 16 bytes long.
 Data: <&#224; 0&#174;&#247;           > E0 02 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002D5710770F0, 16 bytes long.
 Data: <  0&#174;&#247;           > 10 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002D571076790, 16 bytes long.
 Data: <p 0&#174;&#247;           > 70 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002D5710774B0, 16 bytes long.
 Data: < &#192;.&#174;&#247;           > 18 C0 2E AE F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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