Task 38688536

Name test_866-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND7219_0
Workunit 31629878
Created 28 Oct 2026, 14:38:22 UTC
Sent 28 Oct 2026, 14:38:33 UTC
Report deadline 2 Nov 2026, 14:38:33 UTC
Received 28 Oct 2026, 15:38:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610900
Run time 58 min 22 sec
CPU time 51 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,990.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 733.05 MB
Peak swap size 9.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
10:40:04 (62188): wrapper (7.9.26016): starting
10:40:04 (62188): 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
10:40:06 (62188): Library/usr/bin/tar.exe exited; CPU time 0.031250
10:40:06 (62188): 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: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
11:37:44 (62188): C:/Windows/system32/cmd.exe exited; CPU time 3107.968750
11:37:44 (62188): 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: 82684993 bytes.
Dumping objects ->
{3835500} normal block at 0x000001FFB7864480, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835489} normal block at 0x000001FFB7864410, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835478} normal block at 0x000001FFB78641E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835467} normal block at 0x000001FFB7864870, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x000001FFB78644F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835425} normal block at 0x000001FFB96C7A80, 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) : {3835412} normal block at 0x000001FFB785E280, 8 bytes long.
 Data: <  &#239;&#183;&#255;   > 00 00 EF B7 FF 01 00 00 
{3833959} normal block at 0x000001FFB785E9B0, 8 bytes long.
 Data: <`;&#134;&#183;&#255;   > 60 3B 86 B7 FF 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001FFB7860B10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001FFB784EE80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001FFB7865790, 16 bytes long.
 Data: <Hc&#134;&#183;&#255;           > 48 63 86 B7 FF 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001FFB7865BA0, 16 bytes long.
 Data: < c&#134;&#183;&#255;           > 20 63 86 B7 FF 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001FFB785F960, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001FFB7865DD0, 16 bytes long.
 Data: <&#248;b&#134;&#183;&#255;           > F8 62 86 B7 FF 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001FFB7865380, 16 bytes long.
 Data: <&#208;b&#134;&#183;&#255;           > D0 62 86 B7 FF 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FFB7865060, 16 bytes long.
 Data: <&#168;b&#134;&#183;&#255;           > A8 62 86 B7 FF 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FFB78657E0, 16 bytes long.
 Data: < b&#134;&#183;&#255;           > 80 62 86 B7 FF 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001FFB7864250, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001FFB7865F60, 16 bytes long.
 Data: <&#232;&#180;&#132;&#183;&#255;           > E8 B4 84 B7 FF 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FFB785F300, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001FFB78652E0, 16 bytes long.
 Data: <&#192;&#180;&#132;&#183;&#255;           > C0 B4 84 B7 FF 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FFB78656F0, 16 bytes long.
 Data: < &#180;&#132;&#183;&#255;           > 98 B4 84 B7 FF 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FFB7865290, 16 bytes long.
 Data: <p&#180;&#132;&#183;&#255;           > 70 B4 84 B7 FF 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FFB7865C90, 16 bytes long.
 Data: <H&#180;&#132;&#183;&#255;           > 48 B4 84 B7 FF 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FFB7865420, 16 bytes long.
 Data: < &#180;&#132;&#183;&#255;           > 20 B4 84 B7 FF 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FFB7865D80, 16 bytes long.
 Data: <&#248;&#179;&#132;&#183;&#255;           > F8 B3 84 B7 FF 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FFB785F6C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001FFB7865510, 16 bytes long.
 Data: <&#208;&#179;&#132;&#183;&#255;           > D0 B3 84 B7 FF 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FFB784B3D0, 320 bytes long.
 Data: < U&#134;&#183;&#255;   &#192;&#246;&#133;&#183;&#255;   > 10 55 86 B7 FF 01 00 00 C0 F6 85 B7 FF 01 00 00 
{275} normal block at 0x000001FFB7865BF0, 16 bytes long.
 Data: <`b&#134;&#183;&#255;           > 60 62 86 B7 FF 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FFB7865B50, 16 bytes long.
 Data: <8b&#134;&#183;&#255;           > 38 62 86 B7 FF 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FFB785F240, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001FFB78655B0, 16 bytes long.
 Data: < b&#134;&#183;&#255;           > 10 62 86 B7 FF 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FFB785FA20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001FFB78659C0, 16 bytes long.
 Data: <Xa&#134;&#183;&#255;           > 58 61 86 B7 FF 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FFB7865970, 16 bytes long.
 Data: <0a&#134;&#183;&#255;           > 30 61 86 B7 FF 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FFB7865D30, 16 bytes long.
 Data: < a&#134;&#183;&#255;           > 08 61 86 B7 FF 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FFB7865740, 16 bytes long.
 Data: <&#224;`&#134;&#183;&#255;           > E0 60 86 B7 FF 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FFB7865B00, 16 bytes long.
 Data: <&#184;`&#134;&#183;&#255;           > B8 60 86 B7 FF 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FFB7865CE0, 16 bytes long.
 Data: < `&#134;&#183;&#255;           > 90 60 86 B7 FF 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FFB7865FB0, 16 bytes long.
 Data: < G&#134;&#183;&#255;           > 20 47 86 B7 FF 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FFB7864720, 40 bytes long.
 Data: <&#176;_&#134;&#183;&#255;    zl&#185;&#255;   > B0 5F 86 B7 FF 01 00 00 80 7A 6C B9 FF 01 00 00 
{261} normal block at 0x000001FFB7865330, 16 bytes long.
 Data: <p`&#134;&#183;&#255;           > 70 60 86 B7 FF 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001FFB7865470, 16 bytes long.
 Data: <H`&#134;&#183;&#255;           > 48 60 86 B7 FF 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001FFB785F480, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001FFB7865920, 16 bytes long.
 Data: < `&#134;&#183;&#255;           > 20 60 86 B7 FF 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001FFB7866020, 992 bytes long.
 Data: < Y&#134;&#183;&#255;    &#244;&#133;&#183;&#255;   > 20 59 86 B7 FF 01 00 00 80 F4 85 B7 FF 01 00 00 
{93} normal block at 0x000001FFB785FF60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001FFB785E910, 16 bytes long.
 Data: < &#254;&#132;&#183;&#255;           > 20 FE 84 B7 FF 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001FFB784FE20, 40 bytes long.
 Data: < &#233;&#133;&#183;&#255;   `&#255;&#133;&#183;&#255;   > 10 E9 85 B7 FF 01 00 00 60 FF 85 B7 FF 01 00 00 
{70} normal block at 0x000001FFB785E8C0, 16 bytes long.
 Data: < &#234; &#191;&#246;           > 80 EA 98 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001FFB785E960, 16 bytes long.
 Data: <@&#233; &#191;&#246;           > 40 E9 98 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001FFB785E780, 16 bytes long.
 Data: <&#248;W&#149;&#191;&#246;           > F8 57 95 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001FFB785EF00, 16 bytes long.
 Data: <&#216;W&#149;&#191;&#246;           > D8 57 95 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001FFB785F040, 16 bytes long.
 Data: <P &#149;&#191;&#246;           > 50 04 95 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FFB785EB90, 16 bytes long.
 Data: <0 &#149;&#191;&#246;           > 30 04 95 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001FFB785ED20, 16 bytes long.
 Data: <&#224; &#149;&#191;&#246;           > E0 02 95 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FFB785E870, 16 bytes long.
 Data: <  &#149;&#191;&#246;           > 10 04 95 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FFB785EFA0, 16 bytes long.
 Data: <p &#149;&#191;&#246;           > 70 04 95 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001FFB785E3C0, 16 bytes long.
 Data: < &#192;&#147;&#191;&#246;           > 18 C0 93 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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