Task 38649835

Name test_309-GPUGRID_TEST_ATM_4STEP_20261023-1-4-RND1107_0
Workunit 31594406
Created 23 Oct 2026, 22:12:06 UTC
Sent 23 Oct 2026, 22:23:33 UTC
Report deadline 28 Oct 2026, 22:23:33 UTC
Received 23 Oct 2026, 23:25:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618046
Run time 15 min 11 sec
CPU time 13 min 34 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 45,115.95 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 734.63 MB
Peak swap size 11.49 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
01:09:49 (13244): wrapper (7.9.26016): starting
01:09:49 (13244): 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
01:09:50 (13244): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:09:50 (13244): 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
01:24:23 (13244): C:/Windows/system32/cmd.exe exited; CPU time 814.578125
01:24:23 (13244): 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: 19691119 bytes.
Dumping objects ->
{3835276} normal block at 0x000001862BEB78D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835265} normal block at 0x000001862BEB76A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x000001862BEB7550, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835243} normal block at 0x000001862BEB7940, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835232} normal block at 0x000001862BEB7860, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835201} normal block at 0x000001862DBA95C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x000001862DBC1220, 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) : {3835187} normal block at 0x000001862BEACF50, 8 bytes long.
 Data: <  9,&#134;   > 00 00 39 2C 86 01 00 00 
{3834566} normal block at 0x000001862DBC1380, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001862BEAD400, 8 bytes long.
 Data: <&#208;&#219;&#233;+&#134;   > D0 DB E9 2B 86 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001862BEB0FA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001862BEA5CA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001862BEB7E40, 16 bytes long.
 Data: <8 &#235;+&#134;           > 38 90 EB 2B 86 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001862BEB8750, 16 bytes long.
 Data: <  &#235;+&#134;           > 10 90 EB 2B 86 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001862BEAF990, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001862BEB7DA0, 16 bytes long.
 Data: <&#232; &#235;+&#134;           > E8 8F EB 2B 86 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001862BEB8250, 16 bytes long.
 Data: <&#192; &#235;+&#134;           > C0 8F EB 2B 86 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001862BEB7D50, 16 bytes long.
 Data: <  &#235;+&#134;           > 98 8F EB 2B 86 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001862BEB8200, 16 bytes long.
 Data: <p &#235;+&#134;           > 70 8F EB 2B 86 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001862BEB7390, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001862BEB82A0, 16 bytes long.
 Data: <&#248; &#234;+&#134;           > F8 8D EA 2B 86 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001862BEAF510, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001862BEB8480, 16 bytes long.
 Data: <&#208; &#234;+&#134;           > D0 8D EA 2B 86 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001862BEB8160, 16 bytes long.
 Data: <&#168; &#234;+&#134;           > A8 8D EA 2B 86 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001862BEB8700, 16 bytes long.
 Data: <  &#234;+&#134;           > 80 8D EA 2B 86 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001862BEB7E90, 16 bytes long.
 Data: <X &#234;+&#134;           > 58 8D EA 2B 86 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001862BEB86B0, 16 bytes long.
 Data: <0 &#234;+&#134;           > 30 8D EA 2B 86 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001862BEB83E0, 16 bytes long.
 Data: <  &#234;+&#134;           > 08 8D EA 2B 86 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001862BEAFB70, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001862BEB8430, 16 bytes long.
 Data: <&#224;&#140;&#234;+&#134;           > E0 8C EA 2B 86 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001862BEA8CE0, 320 bytes long.
 Data: <0&#132;&#235;+&#134;   p&#251;&#234;+&#134;   > 30 84 EB 2B 86 01 00 00 70 FB EA 2B 86 01 00 00 
{276} normal block at 0x000001862BEB7DF0, 16 bytes long.
 Data: <P &#235;+&#134;           > 50 8F EB 2B 86 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001862BEB8C00, 16 bytes long.
 Data: <( &#235;+&#134;           > 28 8F EB 2B 86 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001862BEAEDF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001862BEB8B60, 16 bytes long.
 Data: <  &#235;+&#134;           > 00 8F EB 2B 86 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001862BEAFA50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001862BEB8BB0, 16 bytes long.
 Data: <H&#142;&#235;+&#134;           > 48 8E EB 2B 86 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001862BEB8B10, 16 bytes long.
 Data: < &#142;&#235;+&#134;           > 20 8E EB 2B 86 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001862BEB8A20, 16 bytes long.
 Data: <&#248; &#235;+&#134;           > F8 8D EB 2B 86 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001862BEB80C0, 16 bytes long.
 Data: <&#208; &#235;+&#134;           > D0 8D EB 2B 86 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001862BEB7FD0, 16 bytes long.
 Data: <&#168; &#235;+&#134;           > A8 8D EB 2B 86 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001862BEB7EE0, 16 bytes long.
 Data: <  &#235;+&#134;           > 80 8D EB 2B 86 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001862BEB8070, 16 bytes long.
 Data: <&#176;y&#235;+&#134;           > B0 79 EB 2B 86 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001862BEB79B0, 40 bytes long.
 Data: <p &#235;+&#134;   &#192;&#149;&#186;-&#134;   > 70 80 EB 2B 86 01 00 00 C0 95 BA 2D 86 01 00 00 
{262} normal block at 0x000001862BEB8110, 16 bytes long.
 Data: <` &#235;+&#134;           > 60 8D EB 2B 86 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001862BEB8AC0, 16 bytes long.
 Data: <8 &#235;+&#134;           > 38 8D EB 2B 86 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001862BEAF4B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001862BEB85C0, 16 bytes long.
 Data: <  &#235;+&#134;           > 10 8D EB 2B 86 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001862BEB8D10, 992 bytes long.
 Data: <&#192;&#133;&#235;+&#134;   &#176;&#244;&#234;+&#134;   > C0 85 EB 2B 86 01 00 00 B0 F4 EA 2B 86 01 00 00 
{94} normal block at 0x000001862BEAFB10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001862BEAD180, 16 bytes long.
 Data: < &#243;&#233;+&#134;           > 20 F3 E9 2B 86 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001862BE9F320, 40 bytes long.
 Data: < &#209;&#234;+&#134;    &#251;&#234;+&#134;   > 80 D1 EA 2B 86 01 00 00 10 FB EA 2B 86 01 00 00 
{71} normal block at 0x000001862BEAD540, 16 bytes long.
 Data: < &#234;:&#161;&#246;           > 80 EA 3A A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001862BEAD950, 16 bytes long.
 Data: <@&#233;:&#161;&#246;           > 40 E9 3A A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001862BEAD130, 16 bytes long.
 Data: <&#248;W7&#161;&#246;           > F8 57 37 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001862BEACFF0, 16 bytes long.
 Data: <&#216;W7&#161;&#246;           > D8 57 37 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001862BEADE00, 16 bytes long.
 Data: <P 7&#161;&#246;           > 50 04 37 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001862BEAD040, 16 bytes long.
 Data: <0 7&#161;&#246;           > 30 04 37 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001862BEADD60, 16 bytes long.
 Data: <&#224; 7&#161;&#246;           > E0 02 37 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001862BEADD10, 16 bytes long.
 Data: <  7&#161;&#246;           > 10 04 37 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001862BEADDB0, 16 bytes long.
 Data: <p 7&#161;&#246;           > 70 04 37 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001862BEADCC0, 16 bytes long.
 Data: < &#192;5&#161;&#246;           > 18 C0 35 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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