Task 38675645

Name test_714-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND9710_0
Workunit 31617608
Created 26 Oct 2026, 8:54:17 UTC
Sent 26 Oct 2026, 8:54:22 UTC
Report deadline 31 Oct 2026, 8:54:22 UTC
Received 26 Oct 2026, 10:25:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653700
Run time 45 min 19 sec
CPU time 41 min 11 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 714.58 MB
Peak swap size 5.36 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
10:41:33 (9504): wrapper (7.9.26016): starting
10:41:33 (9504): 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
10:41:35 (9504): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:41:35 (9504): 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\5\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\5\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
11:25:29 (9504): C:/Windows/system32/cmd.exe exited; CPU time 2471.343750
11:25:29 (9504): 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: 54183843 bytes.
Dumping objects ->
{3835277} normal block at 0x0000021FF290E300, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835266} normal block at 0x0000021FF290D960, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835255} normal block at 0x0000021FF290E140, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835244} normal block at 0x0000021FF290E610, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x0000021FF2837360, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835202} normal block at 0x0000021FF441F370, 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) : {3835189} normal block at 0x0000021FF282C970, 8 bytes long.
 Data: <  {&#242;    > 00 00 7B F2 1F 02 00 00 
{3833985} normal block at 0x0000021FF282C5B0, 8 bytes long.
 Data: < &#195;K&#244;    > 10 C3 4B F4 1F 02 00 00 
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x0000021FF2831DC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x0000021FF2828830, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{308} normal block at 0x0000021FF28379C0, 16 bytes long.
 Data: <8&#139;&#131;&#242;            > 38 8B 83 F2 1F 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x0000021FF2837E20, 16 bytes long.
 Data: < &#139;&#131;&#242;            > 10 8B 83 F2 1F 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x0000021FF2834180, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{305} normal block at 0x0000021FF28380F0, 16 bytes long.
 Data: <&#232;&#138;&#131;&#242;            > E8 8A 83 F2 1F 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000021FF2837A60, 16 bytes long.
 Data: <&#192;&#138;&#131;&#242;            > C0 8A 83 F2 1F 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000021FF2837830, 16 bytes long.
 Data: < &#138;&#131;&#242;            > 98 8A 83 F2 1F 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000021FF28377E0, 16 bytes long.
 Data: <p&#138;&#131;&#242;            > 70 8A 83 F2 1F 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000021FF2836F70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{300} normal block at 0x0000021FF28385A0, 16 bytes long.
 Data: <( &#130;&#242;            > 28 07 82 F2 1F 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000021FF2833880, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{298} normal block at 0x0000021FF2837BF0, 16 bytes long.
 Data: <  &#130;&#242;            > 00 07 82 F2 1F 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021FF2838280, 16 bytes long.
 Data: <&#216; &#130;&#242;            > D8 06 82 F2 1F 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021FF2837740, 16 bytes long.
 Data: <&#176; &#130;&#242;            > B0 06 82 F2 1F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021FF2838550, 16 bytes long.
 Data: <  &#130;&#242;            > 88 06 82 F2 1F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021FF28385F0, 16 bytes long.
 Data: <` &#130;&#242;            > 60 06 82 F2 1F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021FF2838140, 16 bytes long.
 Data: <8 &#130;&#242;            > 38 06 82 F2 1F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021FF2834300, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{290} normal block at 0x0000021FF2837F10, 16 bytes long.
 Data: <  &#130;&#242;            > 10 06 82 F2 1F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021FF2820610, 320 bytes long.
 Data: <  &#131;&#242;     C&#131;&#242;    > 10 7F 83 F2 1F 02 00 00 00 43 83 F2 1F 02 00 00 
{288} normal block at 0x0000021FF2837790, 16 bytes long.
 Data: <P&#138;&#131;&#242;            > 50 8A 83 F2 1F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021FF2837B50, 16 bytes long.
 Data: <(&#138;&#131;&#242;            > 28 8A 83 F2 1F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021FF2833FA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{285} normal block at 0x0000021FF2838370, 16 bytes long.
 Data: < &#138;&#131;&#242;            > 00 8A 83 F2 1F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021FF28342A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{283} normal block at 0x0000021FF28376F0, 16 bytes long.
 Data: <H&#137;&#131;&#242;            > 48 89 83 F2 1F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021FF2837880, 16 bytes long.
 Data: < &#137;&#131;&#242;            > 20 89 83 F2 1F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021FF2838320, 16 bytes long.
 Data: <&#248; &#131;&#242;            > F8 88 83 F2 1F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021FF2838500, 16 bytes long.
 Data: <&#208; &#131;&#242;            > D0 88 83 F2 1F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021FF2837D30, 16 bytes long.
 Data: <&#168; &#131;&#242;            > A8 88 83 F2 1F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021FF2837970, 16 bytes long.
 Data: <  &#131;&#242;            > 80 88 83 F2 1F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021FF2837B00, 16 bytes long.
 Data: < u&#131;&#242;            > 20 75 83 F2 1F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021FF2837520, 40 bytes long.
 Data: < {&#131;&#242;    p&#243;A&#244;    > 00 7B 83 F2 1F 02 00 00 70 F3 41 F4 1F 02 00 00 
{274} normal block at 0x0000021FF2837CE0, 16 bytes long.
 Data: <` &#131;&#242;            > 60 88 83 F2 1F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021FF2837920, 16 bytes long.
 Data: <8 &#131;&#242;            > 38 88 83 F2 1F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021FF2834240, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{271} normal block at 0x0000021FF28378D0, 16 bytes long.
 Data: <  &#131;&#242;            > 10 88 83 F2 1F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021FF2838810, 992 bytes long.
 Data: <&#208;x&#131;&#242;    @B&#131;&#242;    > D0 78 83 F2 1F 02 00 00 40 42 83 F2 1F 02 00 00 
{106} normal block at 0x0000021FF2833580, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{105} normal block at 0x0000021FF282C010, 16 bytes long.
 Data: < u&#131;&#242;            > 90 75 83 F2 1F 02 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x0000021FF2837590, 40 bytes long.
 Data: < &#192;&#130;&#242;     5&#131;&#242;    > 10 C0 82 F2 1F 02 00 00 80 35 83 F2 1F 02 00 00 
{83} normal block at 0x0000021FF282CBA0, 16 bytes long.
 Data: < &#234;D&#147;&#247;           > 80 EA 44 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000021FF282C100, 16 bytes long.
 Data: <@&#233;D&#147;&#247;           > 40 E9 44 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x0000021FF282BF70, 16 bytes long.
 Data: <&#248;WA&#147;&#247;           > F8 57 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x0000021FF282BE80, 16 bytes long.
 Data: <&#216;WA&#147;&#247;           > D8 57 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000021FF282C920, 16 bytes long.
 Data: <P A&#147;&#247;           > 50 04 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000021FF282C3D0, 16 bytes long.
 Data: <0 A&#147;&#247;           > 30 04 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000021FF282C420, 16 bytes long.
 Data: <&#224; A&#147;&#247;           > E0 02 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000021FF282C8D0, 16 bytes long.
 Data: <  A&#147;&#247;           > 10 04 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000021FF282C6F0, 16 bytes long.
 Data: <p A&#147;&#247;           > 70 04 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000021FF282BE30, 16 bytes long.
 Data: < &#192;?&#147;&#247;           > 18 C0 3F 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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