Task 38668127

Name test_841-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND2316_0
Workunit 31610689
Created 25 Oct 2026, 10:44:15 UTC
Sent 25 Oct 2026, 10:44:31 UTC
Report deadline 30 Oct 2026, 10:44:31 UTC
Received 25 Oct 2026, 12:29:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654147
Run time 34 min 52 sec
CPU time 31 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,069.21 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 698.21 MB
Peak swap size 5.26 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:52:49 (2412): wrapper (7.9.26016): starting
12:52:49 (2412): 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
12:52:51 (2412): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:52:51 (2412): 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\4\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\4\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
13:26:25 (2412): C:/Windows/system32/cmd.exe exited; CPU time 1897.500000
13:26:25 (2412): 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: 32808511 bytes.
Dumping objects ->
{3835197} normal block at 0x00000268A325C200, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x00000268A325C660, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x00000268A3204B10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835164} normal block at 0x00000268A3204560, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x00000268A3204AA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835122} normal block at 0x00000268A4E96F00, 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) : {3835109} normal block at 0x00000268A31FF760, 8 bytes long.
 Data: <  n&#163;h   > 00 00 6E A3 68 02 00 00 
{3833959} normal block at 0x00000268A31FFE40, 8 bytes long.
 Data: < d&#239;&#164;h   > 20 64 EF A4 68 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000268A31FEB10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000268A31F5EC0, 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 0x00000268A3205D30, 16 bytes long.
 Data: <&#232;c &#163;h           > E8 63 20 A3 68 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000268A3205C40, 16 bytes long.
 Data: <&#192;c &#163;h           > C0 63 20 A3 68 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000268A3200F70, 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 0x00000268A3205740, 16 bytes long.
 Data: < c &#163;h           > 98 63 20 A3 68 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000268A32056A0, 16 bytes long.
 Data: <pc &#163;h           > 70 63 20 A3 68 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000268A3205510, 16 bytes long.
 Data: <Hc &#163;h           > 48 63 20 A3 68 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000268A3205E70, 16 bytes long.
 Data: < c &#163;h           > 20 63 20 A3 68 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000268A3204BF0, 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 0x00000268A3205BA0, 16 bytes long.
 Data: <   &#163;h           > 98 8D 1F A3 68 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000268A3201330, 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 0x00000268A3205600, 16 bytes long.
 Data: <p  &#163;h           > 70 8D 1F A3 68 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000268A3205150, 16 bytes long.
 Data: <H  &#163;h           > 48 8D 1F A3 68 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000268A3206000, 16 bytes long.
 Data: <   &#163;h           > 20 8D 1F A3 68 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000268A3205830, 16 bytes long.
 Data: <&#248;&#140; &#163;h           > F8 8C 1F A3 68 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000268A3205C90, 16 bytes long.
 Data: <&#208;&#140; &#163;h           > D0 8C 1F A3 68 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000268A32051F0, 16 bytes long.
 Data: <&#168;&#140; &#163;h           > A8 8C 1F A3 68 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000268A3200610, 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 0x00000268A3205470, 16 bytes long.
 Data: < &#140; &#163;h           > 80 8C 1F A3 68 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000268A31F8C80, 320 bytes long.
 Data: <pT &#163;h      &#163;h   > 70 54 20 A3 68 02 00 00 10 06 20 A3 68 02 00 00 
{275} normal block at 0x00000268A3205B50, 16 bytes long.
 Data: < c &#163;h           > 00 63 20 A3 68 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000268A3205650, 16 bytes long.
 Data: <&#216;b &#163;h           > D8 62 20 A3 68 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000268A3200BB0, 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 0x00000268A32057E0, 16 bytes long.
 Data: <&#176;b &#163;h           > B0 62 20 A3 68 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000268A32012D0, 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 0x00000268A32056F0, 16 bytes long.
 Data: <&#248;a &#163;h           > F8 61 20 A3 68 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000268A32055B0, 16 bytes long.
 Data: <&#208;a &#163;h           > D0 61 20 A3 68 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000268A32051A0, 16 bytes long.
 Data: <&#168;a &#163;h           > A8 61 20 A3 68 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000268A3205CE0, 16 bytes long.
 Data: < a &#163;h           > 80 61 20 A3 68 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000268A32059C0, 16 bytes long.
 Data: <Xa &#163;h           > 58 61 20 A3 68 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000268A3205100, 16 bytes long.
 Data: <0a &#163;h           > 30 61 20 A3 68 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000268A3205B00, 16 bytes long.
 Data: <@F &#163;h           > 40 46 20 A3 68 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000268A3204640, 40 bytes long.
 Data: < [ &#163;h    o&#233;&#164;h   > 00 5B 20 A3 68 02 00 00 00 6F E9 A4 68 02 00 00 
{261} normal block at 0x00000268A3206050, 16 bytes long.
 Data: < a &#163;h           > 10 61 20 A3 68 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000268A3205F10, 16 bytes long.
 Data: <&#232;` &#163;h           > E8 60 20 A3 68 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000268A32007F0, 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 0x00000268A3205970, 16 bytes long.
 Data: <&#192;` &#163;h           > C0 60 20 A3 68 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000268A32060C0, 992 bytes long.
 Data: <pY &#163;h   &#240;  &#163;h   > 70 59 20 A3 68 02 00 00 F0 07 20 A3 68 02 00 00 
{93} normal block at 0x00000268A32009D0, 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 0x00000268A32001B0, 16 bytes long.
 Data: <&#224;&#228; &#163;h           > E0 E4 1E A3 68 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000268A31EE4E0, 40 bytes long.
 Data: <&#176;  &#163;h   &#208;	 &#163;h   > B0 01 20 A3 68 02 00 00 D0 09 20 A3 68 02 00 00 
{70} normal block at 0x00000268A3200160, 16 bytes long.
 Data: < &#234;&#198;b&#247;           > 80 EA C6 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000268A31FF620, 16 bytes long.
 Data: <@&#233;&#198;b&#247;           > 40 E9 C6 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000268A31FFFD0, 16 bytes long.
 Data: <&#248;W&#195;b&#247;           > F8 57 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000268A31FF5D0, 16 bytes long.
 Data: <&#216;W&#195;b&#247;           > D8 57 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000268A31FFD00, 16 bytes long.
 Data: <P &#195;b&#247;           > 50 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000268A31FF4E0, 16 bytes long.
 Data: <0 &#195;b&#247;           > 30 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000268A32003E0, 16 bytes long.
 Data: <&#224; &#195;b&#247;           > E0 02 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000268A3200430, 16 bytes long.
 Data: <  &#195;b&#247;           > 10 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000268A31FF580, 16 bytes long.
 Data: <p &#195;b&#247;           > 70 04 C3 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000268A31FF8F0, 16 bytes long.
 Data: < &#192;&#193;b&#247;           > 18 C0 C1 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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