Task 38686324

Name test_142-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND0602_0
Workunit 31627759
Created 28 Oct 2026, 1:57:54 UTC
Sent 28 Oct 2026, 1:58:02 UTC
Report deadline 2 Nov 2026, 1:58:02 UTC
Received 28 Oct 2026, 2:46:29 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 583368
Run time 47 min 35 sec
CPU time 45 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,956.20 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 704.47 MB
Peak swap size 9.87 GB
Peak disk usage 3.47 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:59:44 (41808): wrapper (7.9.26016): starting
02:59:44 (41808): 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
02:59:45 (41808): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:59:45 (41808): 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\12\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\12\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
03:45:57 (41808): C:/Windows/system32/cmd.exe exited; CPU time 2748.640625
03:45:57 (41808): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 46648993 bytes.
Dumping objects ->
{3835207} normal block at 0x0000022B8D154B80, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x0000022B8D154B10, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x0000022B8D154AA0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835174} normal block at 0x0000022B8D154A30, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835163} normal block at 0x0000022B8D1549C0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835132} normal block at 0x0000022B8EF58970, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835121} normal block at 0x0000022B8EF6E240, 102 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) : {3835118} normal block at 0x0000022B8D14E8C0, 8 bytes long.
 Data: <  x +   > 00 00 78 8D 2B 02 00 00 
{3834522} normal block at 0x0000022B8EF6E870, 102 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 0x0000022B8D14E2D0, 8 bytes long.
 Data: <0&#161;&#246;&#142;+   > 30 A1 F6 8E 2B 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000022B8D150CF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022B8D13EEF0, 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 0x0000022B8D1555A0, 16 bytes long.
 Data: <&#232;b  +           > E8 62 15 8D 2B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022B8D155780, 16 bytes long.
 Data: <&#192;b  +           > C0 62 15 8D 2B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022B8D14F0C0, 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 0x0000022B8D155F00, 16 bytes long.
 Data: < b  +           > 98 62 15 8D 2B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022B8D155320, 16 bytes long.
 Data: <pb  +           > 70 62 15 8D 2B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022B8D155280, 16 bytes long.
 Data: <Hb  +           > 48 62 15 8D 2B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022B8D155A50, 16 bytes long.
 Data: < b  +           > 20 62 15 8D 2B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022B8D154790, 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 0x0000022B8D155870, 16 bytes long.
 Data: <h   +           > 68 00 14 8D 2B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022B8D14F420, 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 0x0000022B8D155D70, 16 bytes long.
 Data: <@   +           > 40 00 14 8D 2B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022B8D155460, 16 bytes long.
 Data: <    +           > 18 00 14 8D 2B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022B8D155410, 16 bytes long.
 Data: <&#240;&#255;  +           > F0 FF 13 8D 2B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022B8D1553C0, 16 bytes long.
 Data: <&#200;&#255;  +           > C8 FF 13 8D 2B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022B8D155690, 16 bytes long.
 Data: <&#160;&#255;  +           > A0 FF 13 8D 2B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022B8D155C80, 16 bytes long.
 Data: <x&#255;  +           > 78 FF 13 8D 2B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022B8D14F600, 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 0x0000022B8D155B40, 16 bytes long.
 Data: <P&#255;  +           > 50 FF 13 8D 2B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022B8D13FF50, 320 bytes long.
 Data: <@[  +    &#246;  +   > 40 5B 15 8D 2B 02 00 00 00 F6 14 8D 2B 02 00 00 
{269} normal block at 0x0000022B8D155EB0, 16 bytes long.
 Data: < b  +           > 00 62 15 8D 2B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022B8D155550, 16 bytes long.
 Data: <&#216;a  +           > D8 61 15 8D 2B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022B8D14FDE0, 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 0x0000022B8D155C30, 16 bytes long.
 Data: <&#176;a  +           > B0 61 15 8D 2B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022B8D14F3C0, 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 0x0000022B8D1554B0, 16 bytes long.
 Data: <&#248;`  +           > F8 60 15 8D 2B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022B8D155A00, 16 bytes long.
 Data: <&#208;`  +           > D0 60 15 8D 2B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022B8D155DC0, 16 bytes long.
 Data: <&#168;`  +           > A8 60 15 8D 2B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022B8D155E60, 16 bytes long.
 Data: < `  +           > 80 60 15 8D 2B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022B8D155E10, 16 bytes long.
 Data: <X`  +           > 58 60 15 8D 2B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022B8D155500, 16 bytes long.
 Data: <0`  +           > 30 60 15 8D 2B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000022B8D1555F0, 16 bytes long.
 Data: < G  +           > 20 47 15 8D 2B 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000022B8D154720, 40 bytes long.
 Data: <&#240;U  +   p&#137;&#245;&#142;+   > F0 55 15 8D 2B 02 00 00 70 89 F5 8E 2B 02 00 00 
{255} normal block at 0x0000022B8D155B90, 16 bytes long.
 Data: < `  +           > 10 60 15 8D 2B 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000022B8D155D20, 16 bytes long.
 Data: <&#232;_  +           > E8 5F 15 8D 2B 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000022B8D14F9C0, 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 0x0000022B8D155AF0, 16 bytes long.
 Data: <&#192;_  +           > C0 5F 15 8D 2B 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000022B8D155FC0, 992 bytes long.
 Data: <&#240;Z  +   &#192;&#249;  +   > F0 5A 15 8D 2B 02 00 00 C0 F9 14 8D 2B 02 00 00 
{87} normal block at 0x0000022B8D14F5A0, 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 0x0000022B8D14EB90, 16 bytes long.
 Data: <p&#252;  +           > 70 FC 13 8D 2B 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000022B8D13FC70, 40 bytes long.
 Data: < &#235;  +   &#160;&#245;  +   > 90 EB 14 8D 2B 02 00 00 A0 F5 14 8D 2B 02 00 00 
{64} normal block at 0x0000022B8D14EC30, 16 bytes long.
 Data: < &#234;n9&#247;           > 80 EA 6E 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022B8D14EB40, 16 bytes long.
 Data: <@&#233;n9&#247;           > 40 E9 6E 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022B8D14EBE0, 16 bytes long.
 Data: <&#248;Wk9&#247;           > F8 57 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022B8D14E460, 16 bytes long.
 Data: <&#216;Wk9&#247;           > D8 57 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000022B8D14E5A0, 16 bytes long.
 Data: <P k9&#247;           > 50 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000022B8D14EA00, 16 bytes long.
 Data: <0 k9&#247;           > 30 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000022B8D14EA50, 16 bytes long.
 Data: <&#224; k9&#247;           > E0 02 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000022B8D14E960, 16 bytes long.
 Data: <  k9&#247;           > 10 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000022B8D14E3C0, 16 bytes long.
 Data: <p k9&#247;           > 70 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000022B8D14EFA0, 16 bytes long.
 Data: < &#192;i9&#247;           > 18 C0 69 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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