Task 38679894

Name test_807-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND1036_0
Workunit 31621651
Created 26 Oct 2026, 22:07:45 UTC
Sent 26 Oct 2026, 22:07:48 UTC
Report deadline 31 Oct 2026, 22:07:48 UTC
Received 27 Oct 2026, 2:01:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 563109
Run time 1 hours 9 min 45 sec
CPU time 57 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,156.89 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 645.14 MB
Peak swap size 2.23 GB
Peak disk usage 3.71 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:08:03 (5460): wrapper (7.9.26016): starting
18:08:03 (5460): 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
18:08:06 (5460): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:08:06 (5460): 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\0\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\0\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
19:15:01 (5460): C:/Windows/system32/cmd.exe exited; CPU time 3478.640625
19:15:01 (5460): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 43884999 bytes.
Dumping objects ->
{3835251} normal block at 0x0000020844056820, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x0000020844056C80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x0000020844056660, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835218} normal block at 0x0000020844056350, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x0000020844056EB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835176} normal block at 0x0000020843F6B8C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x00000208424426F0, 235 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) : {3835162} normal block at 0x00000208424370D0, 8 bytes long.
 Data: <  &#233;C    > 00 00 E9 43 08 02 00 00 
{3834555} normal block at 0x0000020842442E10, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x0000020842436FE0, 8 bytes long.
 Data: < &#197;IB    > 20 C5 49 42 08 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000002084243FF80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020842428DF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x0000020842441330, 16 bytes long.
 Data: <h8DB            > 68 38 44 42 08 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000208424412E0, 16 bytes long.
 Data: <@8DB            > 40 38 44 42 08 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002084243C850, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x00000208424417E0, 16 bytes long.
 Data: < 8DB            > 18 38 44 42 08 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000208424411A0, 16 bytes long.
 Data: <&#240;7DB            > F0 37 44 42 08 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020842441060, 16 bytes long.
 Data: <&#200;7DB            > C8 37 44 42 08 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020842441970, 16 bytes long.
 Data: <&#160;7DB            > A0 37 44 42 08 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002084243B150, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x0000020842441600, 16 bytes long.
 Data: <8&#194;CB            > 38 C2 43 42 08 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002084243CE50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x00000208424411F0, 16 bytes long.
 Data: < &#194;CB            > 10 C2 43 42 08 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020842440FC0, 16 bytes long.
 Data: <&#232;&#193;CB            > E8 C1 43 42 08 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000208424410B0, 16 bytes long.
 Data: <&#192;&#193;CB            > C0 C1 43 42 08 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020842441F10, 16 bytes long.
 Data: < &#193;CB            > 98 C1 43 42 08 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020842441560, 16 bytes long.
 Data: <p&#193;CB            > 70 C1 43 42 08 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020842441A10, 16 bytes long.
 Data: <H&#193;CB            > 48 C1 43 42 08 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002084243C430, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{270} normal block at 0x0000020842441D30, 16 bytes long.
 Data: < &#193;CB            > 20 C1 43 42 08 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002084243C120, 320 bytes long.
 Data: <0 DB    0&#196;CB    > 30 1D 44 42 08 02 00 00 30 C4 43 42 08 02 00 00 
{268} normal block at 0x00000208424415B0, 16 bytes long.
 Data: < 7DB            > 80 37 44 42 08 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020842441D80, 16 bytes long.
 Data: <X7DB            > 58 37 44 42 08 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002084243C4F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x0000020842441100, 16 bytes long.
 Data: <07DB            > 30 37 44 42 08 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002084243C5B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x0000020842441510, 16 bytes long.
 Data: <x6DB            > 78 36 44 42 08 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020842441010, 16 bytes long.
 Data: <P6DB            > 50 36 44 42 08 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020842441C40, 16 bytes long.
 Data: <(6DB            > 28 36 44 42 08 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020842441920, 16 bytes long.
 Data: < 6DB            > 00 36 44 42 08 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020842441BA0, 16 bytes long.
 Data: <&#216;5DB            > D8 35 44 42 08 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020842441CE0, 16 bytes long.
 Data: <&#176;5DB            > B0 35 44 42 08 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020842441BF0, 16 bytes long.
 Data: <&#208;&#180;CB            > D0 B4 43 42 08 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002084243B4D0, 40 bytes long.
 Data: <&#240; DB    &#192;&#184;&#246;C    > F0 1B 44 42 08 02 00 00 C0 B8 F6 43 08 02 00 00 
{254} normal block at 0x0000020842441EC0, 16 bytes long.
 Data: < 5DB            > 90 35 44 42 08 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000208424416F0, 16 bytes long.
 Data: <h5DB            > 68 35 44 42 08 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002084243C790, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x0000020842441150, 16 bytes long.
 Data: <@5DB            > 40 35 44 42 08 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000020842443540, 992 bytes long.
 Data: <P DB     &#199;CB    > 50 11 44 42 08 02 00 00 90 C7 43 42 08 02 00 00 
{86} normal block at 0x000002084243C3D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x0000020842436950, 16 bytes long.
 Data: < &#179;CB            > 80 B3 43 42 08 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000002084243B380, 40 bytes long.
 Data: <PiCB    &#208;&#195;CB    > 50 69 43 42 08 02 00 00 D0 C3 43 42 08 02 00 00 
{63} normal block at 0x0000020842436540, 16 bytes long.
 Data: < &#234;&#160;&#232;&#246;           > 80 EA A0 E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020842436E50, 16 bytes long.
 Data: <@&#233;&#160;&#232;&#246;           > 40 E9 A0 E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020842437120, 16 bytes long.
 Data: <&#248;W &#232;&#246;           > F8 57 9D E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020842436F40, 16 bytes long.
 Data: <&#216;W &#232;&#246;           > D8 57 9D E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020842436EF0, 16 bytes long.
 Data: <P  &#232;&#246;           > 50 04 9D E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000208424368B0, 16 bytes long.
 Data: <0  &#232;&#246;           > 30 04 9D E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020842436D10, 16 bytes long.
 Data: <&#224;  &#232;&#246;           > E0 02 9D E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000020842436860, 16 bytes long.
 Data: <   &#232;&#246;           > 10 04 9D E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000020842436400, 16 bytes long.
 Data: <p  &#232;&#246;           > 70 04 9D E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000208424363B0, 16 bytes long.
 Data: < &#192;&#155;&#232;&#246;           > 18 C0 9B E8 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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