Task 38669073

Name test_719-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND6674_0
Workunit 31611471
Created 25 Oct 2026, 13:33:43 UTC
Sent 25 Oct 2026, 13:33:51 UTC
Report deadline 30 Oct 2026, 13:33:51 UTC
Received 25 Oct 2026, 14:40:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652004
Run time 26 min 36 sec
CPU time 24 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 48,740.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.98 MB
Peak swap size 13.01 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:14:05 (10100): wrapper (7.9.26016): starting
08:14:05 (10100): 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
08:14:06 (10100): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:14:06 (10100): 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
08:39:40 (10100): C:/Windows/system32/cmd.exe exited; CPU time 1497.062500
08:39:40 (10100): 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: 8978399 bytes.
Dumping objects ->
{3835257} normal block at 0x0000023EB8744C00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835246} normal block at 0x0000023EB8744B90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835235} normal block at 0x0000023EB87449D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835224} normal block at 0x0000023EB8744960, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835213} normal block at 0x0000023EB8744B20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835182} normal block at 0x0000023EBA587B30, 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) : {3835169} normal block at 0x0000023EB873E6E0, 8 bytes long.
 Data: <  &#214;&#184;>   > 00 00 D6 B8 3E 02 00 00 
{3833955} normal block at 0x0000023EB873EFF0, 8 bytes long.
 Data: < &#230; &#184;>   > 20 E6 81 B8 3E 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000023EB8741330, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000023EB8736780, 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 0x0000023EB8745750, 16 bytes long.
 Data: < Vt&#184;>           > 08 56 74 B8 3E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023EB87457F0, 16 bytes long.
 Data: <&#224;Ut&#184;>           > E0 55 74 B8 3E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023EB873F9E0, 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 0x0000023EB8745AC0, 16 bytes long.
 Data: <&#184;Ut&#184;>           > B8 55 74 B8 3E 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023EB8745B60, 16 bytes long.
 Data: < Ut&#184;>           > 90 55 74 B8 3E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023EB8745CF0, 16 bytes long.
 Data: <hUt&#184;>           > 68 55 74 B8 3E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023EB8746010, 16 bytes long.
 Data: <@Ut&#184;>           > 40 55 74 B8 3E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023EB87446C0, 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 0x0000023EB87461A0, 16 bytes long.
 Data: <H s&#184;>           > 48 8F 73 B8 3E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023EB873FDA0, 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 0x0000023EB8746150, 16 bytes long.
 Data: <  s&#184;>           > 20 8F 73 B8 3E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023EB8745A70, 16 bytes long.
 Data: <&#248;&#142;s&#184;>           > F8 8E 73 B8 3E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023EB8746330, 16 bytes long.
 Data: <&#208;&#142;s&#184;>           > D0 8E 73 B8 3E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023EB87460B0, 16 bytes long.
 Data: <&#168;&#142;s&#184;>           > A8 8E 73 B8 3E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023EB8745FC0, 16 bytes long.
 Data: < &#142;s&#184;>           > 80 8E 73 B8 3E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023EB8745890, 16 bytes long.
 Data: <X&#142;s&#184;>           > 58 8E 73 B8 3E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023EB873FB00, 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 0x0000023EB8745E80, 16 bytes long.
 Data: <0&#142;s&#184;>           > 30 8E 73 B8 3E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023EB8738E30, 320 bytes long.
 Data: < ^t&#184;>    &#251;s&#184;>   > 80 5E 74 B8 3E 02 00 00 00 FB 73 B8 3E 02 00 00 
{273} normal block at 0x0000023EB8746060, 16 bytes long.
 Data: < Ut&#184;>           > 20 55 74 B8 3E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023EB87464C0, 16 bytes long.
 Data: <&#248;Tt&#184;>           > F8 54 74 B8 3E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023EB873FD40, 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 0x0000023EB8746100, 16 bytes long.
 Data: <&#208;Tt&#184;>           > D0 54 74 B8 3E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023EB8740340, 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 0x0000023EB8745ED0, 16 bytes long.
 Data: < Tt&#184;>           > 18 54 74 B8 3E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023EB87461F0, 16 bytes long.
 Data: <&#240;St&#184;>           > F0 53 74 B8 3E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023EB8745F70, 16 bytes long.
 Data: <&#200;St&#184;>           > C8 53 74 B8 3E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023EB8745F20, 16 bytes long.
 Data: <&#160;St&#184;>           > A0 53 74 B8 3E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023EB8745A20, 16 bytes long.
 Data: <xSt&#184;>           > 78 53 74 B8 3E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023EB873EE60, 16 bytes long.
 Data: <PSt&#184;>           > 50 53 74 B8 3E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023EB873EE10, 16 bytes long.
 Data: <&#176;Jt&#184;>           > B0 4A 74 B8 3E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000023EB8744AB0, 40 bytes long.
 Data: < &#238;s&#184;>   0{X&#186;>   > 10 EE 73 B8 3E 02 00 00 30 7B 58 BA 3E 02 00 00 
{259} normal block at 0x0000023EB873EDC0, 16 bytes long.
 Data: <0St&#184;>           > 30 53 74 B8 3E 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000023EB873EC30, 16 bytes long.
 Data: < St&#184;>           > 08 53 74 B8 3E 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000023EB8740460, 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 0x0000023EB873EAF0, 16 bytes long.
 Data: <&#224;Rt&#184;>           > E0 52 74 B8 3E 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000023EB87452E0, 992 bytes long.
 Data: <&#240;&#234;s&#184;>   ` t&#184;>   > F0 EA 73 B8 3E 02 00 00 60 04 74 B8 3E 02 00 00 
{91} normal block at 0x0000023EB873F860, 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 0x0000023EB873E8C0, 16 bytes long.
 Data: <0&#238;r&#184;>           > 30 EE 72 B8 3E 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000023EB872EE30, 40 bytes long.
 Data: <&#192;&#232;s&#184;>   `&#248;s&#184;>   > C0 E8 73 B8 3E 02 00 00 60 F8 73 B8 3E 02 00 00 
{68} normal block at 0x0000023EB873F310, 16 bytes long.
 Data: < &#234; &#133;&#247;           > 80 EA 02 85 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023EB873F400, 16 bytes long.
 Data: <@&#233; &#133;&#247;           > 40 E9 02 85 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023EB873ECD0, 16 bytes long.
 Data: <&#248;W&#255;&#132;&#247;           > F8 57 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023EB873EA00, 16 bytes long.
 Data: <&#216;W&#255;&#132;&#247;           > D8 57 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023EB873E5A0, 16 bytes long.
 Data: <P &#255;&#132;&#247;           > 50 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023EB873E9B0, 16 bytes long.
 Data: <0 &#255;&#132;&#247;           > 30 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000023EB873F3B0, 16 bytes long.
 Data: <&#224; &#255;&#132;&#247;           > E0 02 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000023EB873EEB0, 16 bytes long.
 Data: <  &#255;&#132;&#247;           > 10 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000023EB873EFA0, 16 bytes long.
 Data: <p &#255;&#132;&#247;           > 70 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000023EB873E820, 16 bytes long.
 Data: < &#192;&#253;&#132;&#247;           > 18 C0 FD 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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