Task 38682628

Name test_609-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND8489_1
Workunit 31615947
Created 27 Oct 2026, 8:26:44 UTC
Sent 27 Oct 2026, 8:26:48 UTC
Report deadline 1 Nov 2026, 8:26:48 UTC
Received 27 Oct 2026, 9:19:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653700
Run time 44 min 14 sec
CPU time 40 min 45 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 706.20 MB
Peak swap size 5.35 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
09:29:53 (8116): wrapper (7.9.26016): starting
09:29:53 (8116): 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
09:29:54 (8116): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:29:54 (8116): 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\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 'C:\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
10:12:49 (8116): C:/Windows/system32/cmd.exe exited; CPU time 2445.578125
10:12:49 (8116): 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: 50042765 bytes.
Dumping objects ->
{3835277} normal block at 0x000001CD723B8060, 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 0x000001CD723B7810, 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 0x000001CD723B7FF0, 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 0x000001CD723B7340, 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 0x000001CD70687050, 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 0x000001CD723BF7F0, 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 0x000001CD7067C240, 8 bytes long.
 Data: <  &#180;p&#205;   > 00 00 B4 70 CD 01 00 00 
{3833985} normal block at 0x000001CD7067BED0, 8 bytes long.
 Data: < &#195;Er&#205;   > 10 C3 45 72 CD 01 00 00 
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x000001CD70681000, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x000001CD70678DD0, 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 0x000001CD70687C40, 16 bytes long.
 Data: <8&#139;hp&#205;           > 38 8B 68 70 CD 01 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x000001CD70687740, 16 bytes long.
 Data: < &#139;hp&#205;           > 10 8B 68 70 CD 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x000001CD70684420, 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 0x000001CD70687F60, 16 bytes long.
 Data: <&#232;&#138;hp&#205;           > E8 8A 68 70 CD 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001CD70688230, 16 bytes long.
 Data: <&#192;&#138;hp&#205;           > C0 8A 68 70 CD 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001CD70687C90, 16 bytes long.
 Data: < &#138;hp&#205;           > 98 8A 68 70 CD 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001CD70687E70, 16 bytes long.
 Data: <p&#138;hp&#205;           > 70 8A 68 70 CD 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001CD706874B0, 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 0x000001CD706881E0, 16 bytes long.
 Data: <( gp&#205;           > 28 07 67 70 CD 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001CD706841E0, 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 0x000001CD706876F0, 16 bytes long.
 Data: <  gp&#205;           > 00 07 67 70 CD 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001CD70687920, 16 bytes long.
 Data: <&#216; gp&#205;           > D8 06 67 70 CD 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001CD706880A0, 16 bytes long.
 Data: <&#176; gp&#205;           > B0 06 67 70 CD 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001CD706880F0, 16 bytes long.
 Data: <  gp&#205;           > 88 06 67 70 CD 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001CD706876A0, 16 bytes long.
 Data: <` gp&#205;           > 60 06 67 70 CD 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001CD706883C0, 16 bytes long.
 Data: <8 gp&#205;           > 38 06 67 70 CD 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001CD70683A00, 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 0x000001CD70687B00, 16 bytes long.
 Data: <  gp&#205;           > 10 06 67 70 CD 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001CD70670610, 320 bytes long.
 Data: < {hp&#205;    :hp&#205;   > 00 7B 68 70 CD 01 00 00 00 3A 68 70 CD 01 00 00 
{288} normal block at 0x000001CD70687880, 16 bytes long.
 Data: <P&#138;hp&#205;           > 50 8A 68 70 CD 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001CD70687E20, 16 bytes long.
 Data: <(&#138;hp&#205;           > 28 8A 68 70 CD 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001CD706839A0, 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 0x000001CD70688460, 16 bytes long.
 Data: < &#138;hp&#205;           > 00 8A 68 70 CD 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001CD70684180, 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 0x000001CD70687D80, 16 bytes long.
 Data: <H&#137;hp&#205;           > 48 89 68 70 CD 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001CD70687AB0, 16 bytes long.
 Data: < &#137;hp&#205;           > 20 89 68 70 CD 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001CD70688050, 16 bytes long.
 Data: <&#248; hp&#205;           > F8 88 68 70 CD 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001CD70687A10, 16 bytes long.
 Data: <&#208; hp&#205;           > D0 88 68 70 CD 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001CD70688500, 16 bytes long.
 Data: <&#168; hp&#205;           > A8 88 68 70 CD 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001CD706885F0, 16 bytes long.
 Data: <  hp&#205;           > 80 88 68 70 CD 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001CD70687830, 16 bytes long.
 Data: <&#240;rhp&#205;           > F0 72 68 70 CD 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001CD706872F0, 40 bytes long.
 Data: <0xhp&#205;   &#240;&#247;;r&#205;   > 30 78 68 70 CD 01 00 00 F0 F7 3B 72 CD 01 00 00 
{274} normal block at 0x000001CD70688190, 16 bytes long.
 Data: <` hp&#205;           > 60 88 68 70 CD 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001CD70688140, 16 bytes long.
 Data: <8 hp&#205;           > 38 88 68 70 CD 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001CD70683940, 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 0x000001CD70687DD0, 16 bytes long.
 Data: <  hp&#205;           > 10 88 68 70 CD 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001CD70688810, 992 bytes long.
 Data: <&#208;}hp&#205;   @9hp&#205;   > D0 7D 68 70 CD 01 00 00 40 39 68 70 CD 01 00 00 
{106} normal block at 0x000001CD706838E0, 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 0x000001CD7067C510, 16 bytes long.
 Data: <&#224;ohp&#205;           > E0 6F 68 70 CD 01 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x000001CD70686FE0, 40 bytes long.
 Data: < &#197;gp&#205;   &#224;8hp&#205;   > 10 C5 67 70 CD 01 00 00 E0 38 68 70 CD 01 00 00 
{83} normal block at 0x000001CD7067C920, 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 0x000001CD7067CD80, 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 0x000001CD7067CBA0, 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 0x000001CD7067C9C0, 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 0x000001CD7067CD30, 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 0x000001CD7067C1F0, 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 0x000001CD7067C420, 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 0x000001CD7067C470, 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 0x000001CD7067C380, 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 0x000001CD7067CAB0, 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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