Task 38673465

Name test_77-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND4715_2
Workunit 31615499
Created 26 Oct 2026, 2:30:15 UTC
Sent 26 Oct 2026, 2:30:20 UTC
Report deadline 31 Oct 2026, 2:30:20 UTC
Received 26 Oct 2026, 5:14:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609517
Run time 41 min 52 sec
CPU time 41 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,130.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 733.89 MB
Peak swap size 12.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:32:47 (45276): wrapper (7.9.26016): starting
05:32:47 (45276): 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
05:32:49 (45276): Library/usr/bin/tar.exe exited; CPU time 0.031250
05:32:49 (45276): 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\1\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\1\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
06:14:28 (45276): C:/Windows/system32/cmd.exe exited; CPU time 2512.093750
06:14:28 (45276): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 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: 42615757 bytes.
Dumping objects ->
{3835277} normal block at 0x000002D1DB25CE40, 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 0x000002D1DB25D3F0, 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 0x000002D1DB25D000, 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 0x000002D1DB25D150, 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 0x000002D1D9534770, 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 0x000002D1DB2A3B40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x000002D1DB2BEE80, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835188} normal block at 0x000002D1D952F400, 8 bytes long.
 Data: <   &#219;&#209;   > 00 00 0A DB D1 02 00 00 
{3834564} normal block at 0x000002D1DB2BEDD0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000002D1D952F180, 8 bytes long.
 Data: <&#160;10&#219;&#209;   > A0 31 30 DB D1 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002D1D9530FC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002D1D9526990, 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 0x000002D1D9535750, 16 bytes long.
 Data: <&#200;fS&#217;&#209;           > C8 66 53 D9 D1 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002D1D9535520, 16 bytes long.
 Data: <&#160;fS&#217;&#209;           > A0 66 53 D9 D1 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002D1D952FF30, 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 0x000002D1D9535FC0, 16 bytes long.
 Data: <xfS&#217;&#209;           > 78 66 53 D9 D1 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002D1D9535570, 16 bytes long.
 Data: <PfS&#217;&#209;           > 50 66 53 D9 D1 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002D1D9535660, 16 bytes long.
 Data: <(fS&#217;&#209;           > 28 66 53 D9 D1 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002D1D95358E0, 16 bytes long.
 Data: < fS&#217;&#209;           > 00 66 53 D9 D1 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002D1D9534CB0, 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 0x000002D1D95354D0, 16 bytes long.
 Data: <&#184; R&#217;&#209;           > B8 8F 52 D9 D1 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002D1D952F8D0, 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 0x000002D1D9535A20, 16 bytes long.
 Data: <  R&#217;&#209;           > 90 8F 52 D9 D1 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002D1D9535480, 16 bytes long.
 Data: <h R&#217;&#209;           > 68 8F 52 D9 D1 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002D1D9535E80, 16 bytes long.
 Data: <@ R&#217;&#209;           > 40 8F 52 D9 D1 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002D1D95361F0, 16 bytes long.
 Data: <  R&#217;&#209;           > 18 8F 52 D9 D1 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002D1D9535890, 16 bytes long.
 Data: <&#240;&#142;R&#217;&#209;           > F0 8E 52 D9 D1 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002D1D9536330, 16 bytes long.
 Data: <&#200;&#142;R&#217;&#209;           > C8 8E 52 D9 D1 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002D1D952FED0, 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 0x000002D1D9535B60, 16 bytes long.
 Data: <&#160;&#142;R&#217;&#209;           > A0 8E 52 D9 D1 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002D1D9528EA0, 320 bytes long.
 Data: <`[S&#217;&#209;   &#208;&#254;R&#217;&#209;   > 60 5B 53 D9 D1 02 00 00 D0 FE 52 D9 D1 02 00 00 
{275} normal block at 0x000002D1D95362E0, 16 bytes long.
 Data: <&#224;eS&#217;&#209;           > E0 65 53 D9 D1 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002D1D9536290, 16 bytes long.
 Data: <&#184;eS&#217;&#209;           > B8 65 53 D9 D1 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002D1D95300B0, 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 0x000002D1D95361A0, 16 bytes long.
 Data: < eS&#217;&#209;           > 90 65 53 D9 D1 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002D1D9530470, 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 0x000002D1D9536150, 16 bytes long.
 Data: <&#216;dS&#217;&#209;           > D8 64 53 D9 D1 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002D1D9535610, 16 bytes long.
 Data: <&#176;dS&#217;&#209;           > B0 64 53 D9 D1 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002D1D95359D0, 16 bytes long.
 Data: < dS&#217;&#209;           > 88 64 53 D9 D1 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002D1D9536060, 16 bytes long.
 Data: <`dS&#217;&#209;           > 60 64 53 D9 D1 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002D1D9535430, 16 bytes long.
 Data: <8dS&#217;&#209;           > 38 64 53 D9 D1 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002D1D95353E0, 16 bytes long.
 Data: < dS&#217;&#209;           > 10 64 53 D9 D1 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002D1D9535E30, 16 bytes long.
 Data: < JS&#217;&#209;           > 10 4A 53 D9 D1 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002D1D9534A10, 40 bytes long.
 Data: <0^S&#217;&#209;   @;*&#219;&#209;   > 30 5E 53 D9 D1 02 00 00 40 3B 2A DB D1 02 00 00 
{261} normal block at 0x000002D1D9535DE0, 16 bytes long.
 Data: <&#240;cS&#217;&#209;           > F0 63 53 D9 D1 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002D1D9535F70, 16 bytes long.
 Data: <&#200;cS&#217;&#209;           > C8 63 53 D9 D1 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002D1D95304D0, 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 0x000002D1D9535F20, 16 bytes long.
 Data: <&#160;cS&#217;&#209;           > A0 63 53 D9 D1 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002D1D95363A0, 992 bytes long.
 Data: < _S&#217;&#209;   &#208; S&#217;&#209;   > 20 5F 53 D9 D1 02 00 00 D0 04 53 D9 D1 02 00 00 
{93} normal block at 0x000002D1D952F930, 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 0x000002D1D952F090, 16 bytes long.
 Data: <&#224;GS&#217;&#209;           > E0 47 53 D9 D1 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002D1D95347E0, 40 bytes long.
 Data: < &#240;R&#217;&#209;   0&#249;R&#217;&#209;   > 90 F0 52 D9 D1 02 00 00 30 F9 52 D9 D1 02 00 00 
{70} normal block at 0x000002D1D952EC80, 16 bytes long.
 Data: < &#234;2&#244;&#246;           > 80 EA 32 F4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002D1D952E820, 16 bytes long.
 Data: <@&#233;2&#244;&#246;           > 40 E9 32 F4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002D1D952F4A0, 16 bytes long.
 Data: <&#248;W/&#244;&#246;           > F8 57 2F F4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002D1D952E9B0, 16 bytes long.
 Data: <&#216;W/&#244;&#246;           > D8 57 2F F4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002D1D952EA00, 16 bytes long.
 Data: <P /&#244;&#246;           > 50 04 2F F4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002D1D952EFA0, 16 bytes long.
 Data: <0 /&#244;&#246;           > 30 04 2F F4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002D1D952F0E0, 16 bytes long.
 Data: <&#224; /&#244;&#246;           > E0 02 2F F4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002D1D952EEB0, 16 bytes long.
 Data: <  /&#244;&#246;           > 10 04 2F F4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002D1D952E7D0, 16 bytes long.
 Data: <p /&#244;&#246;           > 70 04 2F F4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002D1D952EAF0, 16 bytes long.
 Data: < &#192;-&#244;&#246;           > 18 C0 2D F4 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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