Task 38696305

Name test_276-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND5336_0
Workunit 31636946
Created 31 Oct 2026, 21:57:30 UTC
Sent 31 Oct 2026, 21:57:33 UTC
Report deadline 5 Nov 2026, 21:57:33 UTC
Received 31 Oct 2026, 22:17:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 604417
Run time 17 min 31 sec
CPU time 15 min 55 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 52,842.03 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 738.29 MB
Peak swap size 7.01 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:58:26 (63376): wrapper (7.9.26016): starting
22:58:26 (63376): 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
22:58:27 (63376): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:58:27 (63376): 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\13\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\13\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
23:15:10 (63376): C:/Windows/system32/cmd.exe exited; CPU time 955.765625
23:15:10 (63376): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 29041807 bytes.
Dumping objects ->
{3835288} normal block at 0x0000015AC2ECFD60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835277} normal block at 0x0000015AC2ECF9E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835266} normal block at 0x0000015AC2ECFCF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835255} normal block at 0x0000015AC2ECF970, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x0000015AC1236590, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835213} normal block at 0x0000015AC2F1AAD0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835202} normal block at 0x0000015AC1281110, 140 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) : {3835199} normal block at 0x0000015AC12302F0, 8 bytes long.
 Data: <  i&#193;Z   > 00 00 69 C1 5A 01 00 00 
{3834570} normal block at 0x0000015AC1280750, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x0000015AC1230930, 8 bytes long.
 Data: < &#210;&#242;&#194;Z   > 10 D2 F2 C2 5A 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000015AC122B340, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000015AC12251C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000015AC1238250, 16 bytes long.
 Data: <&#216; #&#193;Z           > D8 90 23 C1 5A 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000015AC1238020, 16 bytes long.
 Data: <&#176; #&#193;Z           > B0 90 23 C1 5A 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000015AC1232040, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000015AC12386B0, 16 bytes long.
 Data: <  #&#193;Z           > 88 90 23 C1 5A 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000015AC1238160, 16 bytes long.
 Data: <` #&#193;Z           > 60 90 23 C1 5A 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000015AC1238340, 16 bytes long.
 Data: <8 #&#193;Z           > 38 90 23 C1 5A 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000015AC1238AC0, 16 bytes long.
 Data: <  #&#193;Z           > 10 90 23 C1 5A 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000015AC1236520, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000015AC1237E40, 16 bytes long.
 Data: < ."&#193;Z           > 98 2E 22 C1 5A 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000015AC1232220, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000015AC1238610, 16 bytes long.
 Data: <p."&#193;Z           > 70 2E 22 C1 5A 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000015AC12385C0, 16 bytes long.
 Data: <H."&#193;Z           > 48 2E 22 C1 5A 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000015AC1238200, 16 bytes long.
 Data: < ."&#193;Z           > 20 2E 22 C1 5A 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000015AC12387F0, 16 bytes long.
 Data: <&#248;-"&#193;Z           > F8 2D 22 C1 5A 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000015AC1238070, 16 bytes long.
 Data: <&#208;-"&#193;Z           > D0 2D 22 C1 5A 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000015AC12389D0, 16 bytes long.
 Data: <&#168;-"&#193;Z           > A8 2D 22 C1 5A 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000015AC1231E60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000015AC1238C50, 16 bytes long.
 Data: < -"&#193;Z           > 80 2D 22 C1 5A 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000015AC1222D80, 320 bytes long.
 Data: <P&#140;#&#193;Z   ` #&#193;Z   > 50 8C 23 C1 5A 01 00 00 60 1E 23 C1 5A 01 00 00 
{273} normal block at 0x0000015AC1238A20, 16 bytes long.
 Data: <&#240;&#143;#&#193;Z           > F0 8F 23 C1 5A 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000015AC1238D40, 16 bytes long.
 Data: <&#200;&#143;#&#193;Z           > C8 8F 23 C1 5A 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000015AC1231FE0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000015AC1238110, 16 bytes long.
 Data: <&#160;&#143;#&#193;Z           > A0 8F 23 C1 5A 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000015AC1232AC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000015AC1238930, 16 bytes long.
 Data: <&#232;&#142;#&#193;Z           > E8 8E 23 C1 5A 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000015AC1238390, 16 bytes long.
 Data: <&#192;&#142;#&#193;Z           > C0 8E 23 C1 5A 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000015AC1238BB0, 16 bytes long.
 Data: < &#142;#&#193;Z           > 98 8E 23 C1 5A 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000015AC12384D0, 16 bytes long.
 Data: <p&#142;#&#193;Z           > 70 8E 23 C1 5A 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000015AC1238980, 16 bytes long.
 Data: <H&#142;#&#193;Z           > 48 8E 23 C1 5A 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000015AC1238A70, 16 bytes long.
 Data: < &#142;#&#193;Z           > 20 8E 23 C1 5A 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000015AC1237FD0, 16 bytes long.
 Data: <&#160;h#&#193;Z           > A0 68 23 C1 5A 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000015AC12368A0, 40 bytes long.
 Data: <&#208; #&#193;Z   &#208;&#170;&#241;&#194;Z   > D0 7F 23 C1 5A 01 00 00 D0 AA F1 C2 5A 01 00 00 
{259} normal block at 0x0000015AC1238570, 16 bytes long.
 Data: < &#142;#&#193;Z           > 00 8E 23 C1 5A 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000015AC1238520, 16 bytes long.
 Data: <&#216;&#141;#&#193;Z           > D8 8D 23 C1 5A 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000015AC1232100, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000015AC12382A0, 16 bytes long.
 Data: <&#176;&#141;#&#193;Z           > B0 8D 23 C1 5A 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000015AC1238DB0, 992 bytes long.
 Data: <&#160;&#130;#&#193;Z    !#&#193;Z   > A0 82 23 C1 5A 01 00 00 00 21 23 C1 5A 01 00 00 
{91} normal block at 0x0000015AC12326A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000015AC1230D40, 16 bytes long.
 Data: <&#160;a#&#193;Z           > A0 61 23 C1 5A 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000015AC12361A0, 40 bytes long.
 Data: <@ #&#193;Z   &#160;&#&#193;Z   > 40 0D 23 C1 5A 01 00 00 A0 26 23 C1 5A 01 00 00 
{68} normal block at 0x0000015AC1230250, 16 bytes long.
 Data: < &#234;VV&#247;           > 80 EA 56 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000015AC1230C00, 16 bytes long.
 Data: <@&#233;VV&#247;           > 40 E9 56 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000015AC122FE90, 16 bytes long.
 Data: <&#248;WSV&#247;           > F8 57 53 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000015AC12307A0, 16 bytes long.
 Data: <&#216;WSV&#247;           > D8 57 53 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000015AC1230840, 16 bytes long.
 Data: <P SV&#247;           > 50 04 53 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000015AC1230AC0, 16 bytes long.
 Data: <0 SV&#247;           > 30 04 53 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000015AC122FF30, 16 bytes long.
 Data: <&#224; SV&#247;           > E0 02 53 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000015AC1230CF0, 16 bytes long.
 Data: <  SV&#247;           > 10 04 53 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000015AC12302A0, 16 bytes long.
 Data: <p SV&#247;           > 70 04 53 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000015AC12300C0, 16 bytes long.
 Data: < &#192;QV&#247;           > 18 C0 51 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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