Task 38680886

Name test_729-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND7950_1
Workunit 31622560
Created 27 Oct 2026, 2:03:37 UTC
Sent 27 Oct 2026, 2:03:44 UTC
Report deadline 1 Nov 2026, 2:03:44 UTC
Received 27 Oct 2026, 6:36:56 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651581
Run time 1 hours 6 min 7 sec
CPU time 59 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,377.36 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 680.02 MB
Peak swap size 5.22 GB
Peak disk usage 3.72 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:32:36 (20888): wrapper (7.9.26016): starting
06:32:36 (20888): 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
06:32:38 (20888): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:32:38 (20888): 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\2\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\2\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
07:36:23 (20888): C:/Windows/system32/cmd.exe exited; CPU time 3566.421875
07:36:23 (20888): 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: 65879473 bytes.
Dumping objects ->
{3835364} normal block at 0x0000017DB6312680, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835353} normal block at 0x0000017DB6313020, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835342} normal block at 0x0000017DB6312D10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835331} normal block at 0x0000017DB6312E60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835320} normal block at 0x0000017DB62EE1C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835289} normal block at 0x0000017DB7FCDF50, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835278} normal block at 0x0000017DB7FE7C90, 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) : {3835275} normal block at 0x0000017DB62BA610, 8 bytes long.
 Data: <  f&#182;}   > 00 00 66 B6 7D 01 00 00 
{3834617} normal block at 0x0000017DB7FE7BE0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x0000017DB62BA700, 8 bytes long.
 Data: <@/ &#184;}   > 40 2F 02 B8 7D 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000017DB627C780, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000017DB6276640, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000017DB62EFB50, 16 bytes long.
 Data: <X&#235;.&#182;}           > 58 EB 2E B6 7D 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000017DB62EED40, 16 bytes long.
 Data: <0&#235;.&#182;}           > 30 EB 2E B6 7D 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000017DB62B8B90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000017DB62EF9C0, 16 bytes long.
 Data: < &#235;.&#182;}           > 08 EB 2E B6 7D 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000017DB62EF4C0, 16 bytes long.
 Data: <&#224;&#234;.&#182;}           > E0 EA 2E B6 7D 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000017DB62EF330, 16 bytes long.
 Data: <&#184;&#234;.&#182;}           > B8 EA 2E B6 7D 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000017DB62EED90, 16 bytes long.
 Data: < &#234;.&#182;}           > 90 EA 2E B6 7D 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000017DB62EE3F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000017DB62EF2E0, 16 bytes long.
 Data: <&#232;&#241;&&#182;}           > E8 F1 26 B6 7D 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000017DB62B93D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000017DB62EF830, 16 bytes long.
 Data: <&#192;&#241;&&#182;}           > C0 F1 26 B6 7D 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017DB62EF740, 16 bytes long.
 Data: < &#241;&&#182;}           > 98 F1 26 B6 7D 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017DB62EF5B0, 16 bytes long.
 Data: <p&#241;&&#182;}           > 70 F1 26 B6 7D 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000017DB62EF1F0, 16 bytes long.
 Data: <H&#241;&&#182;}           > 48 F1 26 B6 7D 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000017DB62EECF0, 16 bytes long.
 Data: < &#241;&&#182;}           > 20 F1 26 B6 7D 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000017DB62EF380, 16 bytes long.
 Data: <&#248;&#240;&&#182;}           > F8 F0 26 B6 7D 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000017DB62B8950, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{276} normal block at 0x0000017DB62EF1A0, 16 bytes long.
 Data: <&#208;&#240;&&#182;}           > D0 F0 26 B6 7D 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017DB626F0D0, 320 bytes long.
 Data: <&#160;&#241;.&#182;}   P&#137;+&#182;}   > A0 F1 2E B6 7D 01 00 00 50 89 2B B6 7D 01 00 00 
{274} normal block at 0x0000017DB62EF600, 16 bytes long.
 Data: <p&#234;.&#182;}           > 70 EA 2E B6 7D 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017DB62EF470, 16 bytes long.
 Data: <H&#234;.&#182;}           > 48 EA 2E B6 7D 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000017DB62B8A10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000017DB62EF6F0, 16 bytes long.
 Data: < &#234;.&#182;}           > 20 EA 2E B6 7D 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000017DB62B8E30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000017DB62EF290, 16 bytes long.
 Data: <h&#233;.&#182;}           > 68 E9 2E B6 7D 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017DB62EEF70, 16 bytes long.
 Data: <@&#233;.&#182;}           > 40 E9 2E B6 7D 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017DB62EF240, 16 bytes long.
 Data: < &#233;.&#182;}           > 18 E9 2E B6 7D 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017DB62EF150, 16 bytes long.
 Data: <&#240;&#232;.&#182;}           > F0 E8 2E B6 7D 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000017DB62EECA0, 16 bytes long.
 Data: <&#200;&#232;.&#182;}           > C8 E8 2E B6 7D 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017DB62BA570, 16 bytes long.
 Data: <&#160;&#232;.&#182;}           > A0 E8 2E B6 7D 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000017DB62BA520, 16 bytes long.
 Data: <0&#226;.&#182;}           > 30 E2 2E B6 7D 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000017DB62EE230, 40 bytes long.
 Data: < &#165;+&#182;}   P&#223;&#252;&#183;}   > 20 A5 2B B6 7D 01 00 00 50 DF FC B7 7D 01 00 00 
{260} normal block at 0x0000017DB62BA4D0, 16 bytes long.
 Data: < &#232;.&#182;}           > 80 E8 2E B6 7D 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000017DB62B9F80, 16 bytes long.
 Data: <X&#232;.&#182;}           > 58 E8 2E B6 7D 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000017DB62B8B30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000017DB62B9CB0, 16 bytes long.
 Data: <0&#232;.&#182;}           > 30 E8 2E B6 7D 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000017DB62EE830, 992 bytes long.
 Data: <&#176;&#156;+&#182;}   0&#139;+&#182;}   > B0 9C 2B B6 7D 01 00 00 30 8B 2B B6 7D 01 00 00 
{92} normal block at 0x0000017DB62B9010, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000017DB62BA2F0, 16 bytes long.
 Data: < &#227;.&#182;}           > 80 E3 2E B6 7D 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000017DB62EE380, 40 bytes long.
 Data: <&#240; +&#182;}     +&#182;}   > F0 A2 2B B6 7D 01 00 00 10 90 2B B6 7D 01 00 00 
{69} normal block at 0x0000017DB62BA070, 16 bytes long.
 Data: < &#234;&#172;n&#246;           > 80 EA AC 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000017DB62B9940, 16 bytes long.
 Data: <@&#233;&#172;n&#246;           > 40 E9 AC 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000017DB62B9B70, 16 bytes long.
 Data: <&#248;W&#169;n&#246;           > F8 57 A9 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000017DB62BA660, 16 bytes long.
 Data: <&#216;W&#169;n&#246;           > D8 57 A9 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000017DB62BA2A0, 16 bytes long.
 Data: <P &#169;n&#246;           > 50 04 A9 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000017DB62B98A0, 16 bytes long.
 Data: <0 &#169;n&#246;           > 30 04 A9 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000017DB62B9EE0, 16 bytes long.
 Data: <&#224; &#169;n&#246;           > E0 02 A9 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000017DB62BA160, 16 bytes long.
 Data: <  &#169;n&#246;           > 10 04 A9 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000017DB62B9C10, 16 bytes long.
 Data: <p &#169;n&#246;           > 70 04 A9 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000017DB62BA7F0, 16 bytes long.
 Data: < &#192;&#167;n&#246;           > 18 C0 A7 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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