Task 38686769

Name test_64-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND2835_1
Workunit 31617349
Created 28 Oct 2026, 4:18:53 UTC
Sent 28 Oct 2026, 4:19:00 UTC
Report deadline 2 Nov 2026, 4:19:00 UTC
Received 28 Oct 2026, 8:32:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 644440
Run time 1 hours 2 min 33 sec
CPU time 1 hours 2 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 8,090.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 743.03 MB
Peak swap size 12.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
03:28:49 (55244): wrapper (7.9.26016): starting
03:28:49 (55244): 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
03:28:50 (55244): Library/usr/bin/tar.exe exited; CPU time 0.062500
03:28:50 (55244): 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\32\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\32\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
04:31:54 (55244): C:/Windows/system32/cmd.exe exited; CPU time 3753.406250
04:31:54 (55244): 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: 105831361 bytes.
Dumping objects ->
{3835512} normal block at 0x000001C197F41550, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835501} normal block at 0x000001C1962282E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835490} normal block at 0x000001C196228200, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835479} normal block at 0x000001C196227EF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x000001C196228270, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835437} normal block at 0x000001C197F88010, 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) : {3835424} normal block at 0x000001C19621FA20, 8 bytes long.
 Data: <   &#150;&#193;   > 00 00 1D 96 C1 01 00 00 
{3833965} normal block at 0x000001C1962200B0, 8 bytes long.
 Data: < &#235;/&#150;&#193;   > 80 EB 2F 96 C1 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001C1962188F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001C196211070, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001C196229090, 16 bytes long.
 Data: <x "&#150;&#193;           > 78 99 22 96 C1 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001C196228D20, 16 bytes long.
 Data: <P "&#150;&#193;           > 50 99 22 96 C1 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001C196221B30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001C196229220, 16 bytes long.
 Data: <( "&#150;&#193;           > 28 99 22 96 C1 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C1962294A0, 16 bytes long.
 Data: <  "&#150;&#193;           > 00 99 22 96 C1 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C1962286E0, 16 bytes long.
 Data: <&#216; "&#150;&#193;           > D8 98 22 96 C1 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C196229360, 16 bytes long.
 Data: <&#176; "&#150;&#193;           > B0 98 22 96 C1 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C196227E80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001C196228CD0, 16 bytes long.
 Data: <(&#176;!&#150;&#193;           > 28 B0 21 96 C1 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C196221DD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001C196229130, 16 bytes long.
 Data: < &#176;!&#150;&#193;           > 00 B0 21 96 C1 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C196228E10, 16 bytes long.
 Data: <&#216;&#175;!&#150;&#193;           > D8 AF 21 96 C1 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C196228C30, 16 bytes long.
 Data: <&#176;&#175;!&#150;&#193;           > B0 AF 21 96 C1 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C196228A00, 16 bytes long.
 Data: < &#175;!&#150;&#193;           > 88 AF 21 96 C1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C196228B40, 16 bytes long.
 Data: <`&#175;!&#150;&#193;           > 60 AF 21 96 C1 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C1962287D0, 16 bytes long.
 Data: <8&#175;!&#150;&#193;           > 38 AF 21 96 C1 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C1962224F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001C196228AA0, 16 bytes long.
 Data: < &#175;!&#150;&#193;           > 10 AF 21 96 C1 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C19621AF10, 320 bytes long.
 Data: <&#160;&#138;"&#150;&#193;   &#240;$"&#150;&#193;   > A0 8A 22 96 C1 01 00 00 F0 24 22 96 C1 01 00 00 
{278} normal block at 0x000001C196228EB0, 16 bytes long.
 Data: <  "&#150;&#193;           > 90 98 22 96 C1 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C196228BE0, 16 bytes long.
 Data: <h "&#150;&#193;           > 68 98 22 96 C1 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C196221AD0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001C1962294F0, 16 bytes long.
 Data: <@ "&#150;&#193;           > 40 98 22 96 C1 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C196221F50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000001C196228B90, 16 bytes long.
 Data: < &#151;"&#150;&#193;           > 88 97 22 96 C1 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C196228F50, 16 bytes long.
 Data: <`&#151;"&#150;&#193;           > 60 97 22 96 C1 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C1962292C0, 16 bytes long.
 Data: <8&#151;"&#150;&#193;           > 38 97 22 96 C1 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C196228C80, 16 bytes long.
 Data: < &#151;"&#150;&#193;           > 10 97 22 96 C1 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C196228820, 16 bytes long.
 Data: <&#232;&#150;"&#150;&#193;           > E8 96 22 96 C1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C196228AF0, 16 bytes long.
 Data: <&#192;&#150;"&#150;&#193;           > C0 96 22 96 C1 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C196229400, 16 bytes long.
 Data: <0&#132;"&#150;&#193;           > 30 84 22 96 C1 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C196228430, 40 bytes long.
 Data: < &#148;"&#150;&#193;     &#248;&#151;&#193;   > 00 94 22 96 C1 01 00 00 10 80 F8 97 C1 01 00 00 
{264} normal block at 0x000001C196228A50, 16 bytes long.
 Data: <&#160;&#150;"&#150;&#193;           > A0 96 22 96 C1 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C196229450, 16 bytes long.
 Data: <x&#150;"&#150;&#193;           > 78 96 22 96 C1 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C196222970, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001C196229040, 16 bytes long.
 Data: <P&#150;"&#150;&#193;           > 50 96 22 96 C1 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C196229650, 992 bytes long.
 Data: <@ "&#150;&#193;   p)"&#150;&#193;   > 40 90 22 96 C1 01 00 00 70 29 22 96 C1 01 00 00 
{96} normal block at 0x000001C196221E90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001C19621FFC0, 16 bytes long.
 Data: <p&#226; &#150;&#193;           > 70 E2 20 96 C1 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001C19620E270, 40 bytes long.
 Data: <&#192;&#255;!&#150;&#193;     "&#150;&#193;   > C0 FF 21 96 C1 01 00 00 90 1E 22 96 C1 01 00 00 
{73} normal block at 0x000001C19621FD90, 16 bytes long.
 Data: < &#234;&#253;&#225;&#246;           > 80 EA FD E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001C19621F8E0, 16 bytes long.
 Data: <@&#233;&#253;&#225;&#246;           > 40 E9 FD E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001C19621FBB0, 16 bytes long.
 Data: <&#248;W&#250;&#225;&#246;           > F8 57 FA E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001C19621F890, 16 bytes long.
 Data: <&#216;W&#250;&#225;&#246;           > D8 57 FA E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C1962204C0, 16 bytes long.
 Data: <P &#250;&#225;&#246;           > 50 04 FA E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C196220420, 16 bytes long.
 Data: <0 &#250;&#225;&#246;           > 30 04 FA E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C19621FB10, 16 bytes long.
 Data: <&#224; &#250;&#225;&#246;           > E0 02 FA E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C196220560, 16 bytes long.
 Data: <  &#250;&#225;&#246;           > 10 04 FA E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C1962206F0, 16 bytes long.
 Data: <p &#250;&#225;&#246;           > 70 04 FA E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C196220100, 16 bytes long.
 Data: < &#192;&#248;&#225;&#246;           > 18 C0 F8 E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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