Task 38684885

Name test_932-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND1145_0
Workunit 31626384
Created 27 Oct 2026, 18:24:50 UTC
Sent 27 Oct 2026, 18:24:54 UTC
Report deadline 1 Nov 2026, 18:24:54 UTC
Received 27 Oct 2026, 19:28:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652253
Run time 1 hours 1 min 21 sec
CPU time 58 min 27 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,168.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 739.21 MB
Peak swap size 6.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:27:36 (13248): wrapper (7.9.26016): starting
19:27:36 (13248): 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
19:27:38 (13248): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:27:38 (13248): 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
20:26:55 (13248): C:/Windows/system32/cmd.exe exited; CPU time 3507.187500
20:26:55 (13248): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 75418121 bytes.
Dumping objects ->
{3835893} normal block at 0x000001DE59248430, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835882} normal block at 0x000001DE59248190, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835871} normal block at 0x000001DE592484A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835860} normal block at 0x000001DE592487B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835849} normal block at 0x000001DE59248510, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835818} normal block at 0x000001DE5AFAD490, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835805} normal block at 0x000001DE5923ECB0, 8 bytes long.
 Data: <  nY&#222;   > 00 00 6E 59 DE 01 00 00 
{3833957} normal block at 0x000001DE5923FA70, 8 bytes long.
 Data: <&#176;&#194;&#251;Z&#222;   > B0 C2 FB 5A DE 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001DE59241B70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001DE59236250, 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 0x000001DE59247C40, 16 bytes long.
 Data: <&#216; $Y&#222;           > D8 7F 24 59 DE 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001DE59247470, 16 bytes long.
 Data: <&#176; $Y&#222;           > B0 7F 24 59 DE 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001DE592409A0, 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 0x000001DE59247BF0, 16 bytes long.
 Data: <  $Y&#222;           > 88 7F 24 59 DE 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001DE59247A60, 16 bytes long.
 Data: <` $Y&#222;           > 60 7F 24 59 DE 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001DE59247560, 16 bytes long.
 Data: <8 $Y&#222;           > 38 7F 24 59 DE 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001DE59247830, 16 bytes long.
 Data: <  $Y&#222;           > 10 7F 24 59 DE 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001DE59248200, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001DE592477E0, 16 bytes long.
 Data: <X&#181;"Y&#222;           > 58 B5 22 59 DE 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001DE59240100, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001DE592476F0, 16 bytes long.
 Data: <0&#181;"Y&#222;           > 30 B5 22 59 DE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001DE592471F0, 16 bytes long.
 Data: < &#181;"Y&#222;           > 08 B5 22 59 DE 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001DE592474C0, 16 bytes long.
 Data: <&#224;&#180;"Y&#222;           > E0 B4 22 59 DE 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001DE59246D90, 16 bytes long.
 Data: <&#184;&#180;"Y&#222;           > B8 B4 22 59 DE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001DE59246F70, 16 bytes long.
 Data: < &#180;"Y&#222;           > 90 B4 22 59 DE 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001DE59247790, 16 bytes long.
 Data: <h&#180;"Y&#222;           > 68 B4 22 59 DE 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001DE5923FFE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001DE592473D0, 16 bytes long.
 Data: <@&#180;"Y&#222;           > 40 B4 22 59 DE 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001DE5922B440, 320 bytes long.
 Data: <&#208;s$Y&#222;   &#224;&#255;#Y&#222;   > D0 73 24 59 DE 01 00 00 E0 FF 23 59 DE 01 00 00 
{274} normal block at 0x000001DE59247970, 16 bytes long.
 Data: <&#240;~$Y&#222;           > F0 7E 24 59 DE 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001DE59247BA0, 16 bytes long.
 Data: <&#200;~$Y&#222;           > C8 7E 24 59 DE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001DE592405E0, 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 0x000001DE592479C0, 16 bytes long.
 Data: <&#160;~$Y&#222;           > A0 7E 24 59 DE 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001DE59240520, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001DE592478D0, 16 bytes long.
 Data: <&#232;}$Y&#222;           > E8 7D 24 59 DE 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001DE59246ED0, 16 bytes long.
 Data: <&#192;}$Y&#222;           > C0 7D 24 59 DE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001DE592471A0, 16 bytes long.
 Data: < }$Y&#222;           > 98 7D 24 59 DE 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001DE59247330, 16 bytes long.
 Data: <p}$Y&#222;           > 70 7D 24 59 DE 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001DE59247A10, 16 bytes long.
 Data: <H}$Y&#222;           > 48 7D 24 59 DE 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001DE59247240, 16 bytes long.
 Data: < }$Y&#222;           > 20 7D 24 59 DE 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001DE592472E0, 16 bytes long.
 Data: < &#211;"Y&#222;           > 90 D3 22 59 DE 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001DE5922D390, 40 bytes long.
 Data: <&#224;r$Y&#222;    &#212;&#250;Z&#222;   > E0 72 24 59 DE 01 00 00 90 D4 FA 5A DE 01 00 00 
{260} normal block at 0x000001DE59247AB0, 16 bytes long.
 Data: < }$Y&#222;           > 00 7D 24 59 DE 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001DE59247420, 16 bytes long.
 Data: <&#216;|$Y&#222;           > D8 7C 24 59 DE 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001DE59240A60, 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 0x000001DE59246E80, 16 bytes long.
 Data: <&#176;|$Y&#222;           > B0 7C 24 59 DE 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001DE59247CB0, 992 bytes long.
 Data: < n$Y&#222;   ` $Y&#222;   > 80 6E 24 59 DE 01 00 00 60 0A 24 59 DE 01 00 00 
{92} normal block at 0x000001DE592403A0, 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 0x000001DE5923EC60, 16 bytes long.
 Data: <p&#224;"Y&#222;           > 70 E0 22 59 DE 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001DE5922E070, 40 bytes long.
 Data: <`&#236;#Y&#222;   &#160; $Y&#222;   > 60 EC 23 59 DE 01 00 00 A0 03 24 59 DE 01 00 00 
{69} normal block at 0x000001DE5923F1B0, 16 bytes long.
 Data: < &#234;&#251;&#253;&#247;           > 80 EA FB FD F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001DE5923F020, 16 bytes long.
 Data: <@&#233;&#251;&#253;&#247;           > 40 E9 FB FD F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001DE5923EE40, 16 bytes long.
 Data: <&#248;W&#248;&#253;&#247;           > F8 57 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001DE5923EC10, 16 bytes long.
 Data: <&#216;W&#248;&#253;&#247;           > D8 57 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001DE5923EE90, 16 bytes long.
 Data: <P &#248;&#253;&#247;           > 50 04 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001DE5923F980, 16 bytes long.
 Data: <0 &#248;&#253;&#247;           > 30 04 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001DE5923FB60, 16 bytes long.
 Data: <&#224; &#248;&#253;&#247;           > E0 02 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001DE5923EFD0, 16 bytes long.
 Data: <  &#248;&#253;&#247;           > 10 04 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001DE5923F8E0, 16 bytes long.
 Data: <p &#248;&#253;&#247;           > 70 04 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001DE5923FA20, 16 bytes long.
 Data: < &#192;&#246;&#253;&#247;           > 18 C0 F6 FD F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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