Task 38685448

Name test_114-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND8775_0
Workunit 31626914
Created 27 Oct 2026, 21:05:24 UTC
Sent 27 Oct 2026, 21:05:37 UTC
Report deadline 1 Nov 2026, 21:05:37 UTC
Received 27 Oct 2026, 21:46:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652783
Run time 20 min 8 sec
CPU time 18 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,338.03 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.02 MB
Peak swap size 9.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:27:06 (18224): wrapper (7.9.26016): starting
17:27:06 (18224): 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
17:27:07 (18224): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:27:07 (18224): 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\3\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\3\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
17:46:28 (18224): C:/Windows/system32/cmd.exe exited; CPU time 1088.437500
17:46:28 (18224): 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: 19741467 bytes.
Dumping objects ->
{3835237} normal block at 0x0000022CABB1D300, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x0000022CABB1D0D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x0000022CABB1D760, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835204} normal block at 0x0000022CA9E04820, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835193} normal block at 0x0000022CA9E04740, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835162} normal block at 0x0000022CABB6AE00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835151} normal block at 0x0000022CABB7EC90, 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) : {3835148} normal block at 0x0000022CA9E01520, 8 bytes long.
 Data: <  &#218;&#169;,   > 00 00 DA A9 2C 02 00 00 
{3834547} normal block at 0x0000022CABB7E7C0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x0000022CA9E01340, 8 bytes long.
 Data: < B&#188;&#171;,   > 80 42 BC AB 2C 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000022CA9DF6010, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000022CA9DF71D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000022CA9E05C50, 16 bytes long.
 Data: <&#184;U&#224;&#169;,           > B8 55 E0 A9 2C 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022CA9E05700, 16 bytes long.
 Data: < U&#224;&#169;,           > 90 55 E0 A9 2C 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022CA9DFFC80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000022CA9E05980, 16 bytes long.
 Data: <hU&#224;&#169;,           > 68 55 E0 A9 2C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022CA9E06330, 16 bytes long.
 Data: <@U&#224;&#169;,           > 40 55 E0 A9 2C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022CA9E05B10, 16 bytes long.
 Data: < U&#224;&#169;,           > 18 55 E0 A9 2C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022CA9E05C00, 16 bytes long.
 Data: <&#240;T&#224;&#169;,           > F0 54 E0 A9 2C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022CA9E04C10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000022CA9E058E0, 16 bytes long.
 Data: <&#168;&#184;&#222;&#169;,           > A8 B8 DE A9 2C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022CA9E00280, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000022CA9E061A0, 16 bytes long.
 Data: < &#184;&#222;&#169;,           > 80 B8 DE A9 2C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022CA9E05F70, 16 bytes long.
 Data: <X&#184;&#222;&#169;,           > 58 B8 DE A9 2C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022CA9E06150, 16 bytes long.
 Data: <0&#184;&#222;&#169;,           > 30 B8 DE A9 2C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022CA9E060B0, 16 bytes long.
 Data: < &#184;&#222;&#169;,           > 08 B8 DE A9 2C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022CA9E05BB0, 16 bytes long.
 Data: <&#224;&#183;&#222;&#169;,           > E0 B7 DE A9 2C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022CA9E06420, 16 bytes long.
 Data: <&#184;&#183;&#222;&#169;,           > B8 B7 DE A9 2C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022CA9E00220, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000022CA9E05750, 16 bytes long.
 Data: < &#183;&#222;&#169;,           > 90 B7 DE A9 2C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022CA9DEB790, 320 bytes long.
 Data: <PW&#224;&#169;,     &#224;&#169;,   > 50 57 E0 A9 2C 02 00 00 20 02 E0 A9 2C 02 00 00 
{275} normal block at 0x0000022CA9E05F20, 16 bytes long.
 Data: <&#208;T&#224;&#169;,           > D0 54 E0 A9 2C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022CA9E06510, 16 bytes long.
 Data: <&#168;T&#224;&#169;,           > A8 54 E0 A9 2C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022CA9E00640, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000022CA9E062E0, 16 bytes long.
 Data: < T&#224;&#169;,           > 80 54 E0 A9 2C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022CA9DFFF80, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000022CA9E06290, 16 bytes long.
 Data: <&#200;S&#224;&#169;,           > C8 53 E0 A9 2C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022CA9E064C0, 16 bytes long.
 Data: <&#160;S&#224;&#169;,           > A0 53 E0 A9 2C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022CA9E05AC0, 16 bytes long.
 Data: <xS&#224;&#169;,           > 78 53 E0 A9 2C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022CA9E05B60, 16 bytes long.
 Data: <PS&#224;&#169;,           > 50 53 E0 A9 2C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022CA9E00C10, 16 bytes long.
 Data: <(S&#224;&#169;,           > 28 53 E0 A9 2C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022CA9E00AD0, 16 bytes long.
 Data: < S&#224;&#169;,           > 00 53 E0 A9 2C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022CA9E00A80, 16 bytes long.
 Data: < I&#224;&#169;,           > 00 49 E0 A9 2C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022CA9E04900, 40 bytes long.
 Data: <  &#224;&#169;,    &#174;&#182;&#171;,   > 80 0A E0 A9 2C 02 00 00 00 AE B6 AB 2C 02 00 00 
{261} normal block at 0x0000022CA9E009E0, 16 bytes long.
 Data: <&#224;R&#224;&#169;,           > E0 52 E0 A9 2C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022CA9E00990, 16 bytes long.
 Data: <&#184;R&#224;&#169;,           > B8 52 E0 A9 2C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022CA9E00460, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000022CA9E01250, 16 bytes long.
 Data: < R&#224;&#169;,           > 90 52 E0 A9 2C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000022CA9E05290, 992 bytes long.
 Data: <P &#224;&#169;,   ` &#224;&#169;,   > 50 12 E0 A9 2C 02 00 00 60 04 E0 A9 2C 02 00 00 
{93} normal block at 0x0000022CA9DFFBC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000022CA9E013E0, 16 bytes long.
 Data: < H&#224;&#169;,           > 90 48 E0 A9 2C 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000022CA9E04890, 40 bytes long.
 Data: <&#224; &#224;&#169;,   &#192;&#251;&#223;&#169;,   > E0 13 E0 A9 2C 02 00 00 C0 FB DF A9 2C 02 00 00 
{70} normal block at 0x0000022CA9E00940, 16 bytes long.
 Data: < &#234;'&#250;&#246;           > 80 EA 27 FA F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022CA9E01480, 16 bytes long.
 Data: <@&#233;'&#250;&#246;           > 40 E9 27 FA F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022CA9E00D50, 16 bytes long.
 Data: <&#248;W$&#250;&#246;           > F8 57 24 FA F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022CA9E00EE0, 16 bytes long.
 Data: <&#216;W$&#250;&#246;           > D8 57 24 FA F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022CA9E00F30, 16 bytes long.
 Data: <P $&#250;&#246;           > 50 04 24 FA F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022CA9E012A0, 16 bytes long.
 Data: <0 $&#250;&#246;           > 30 04 24 FA F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022CA9E01700, 16 bytes long.
 Data: <&#224; $&#250;&#246;           > E0 02 24 FA F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022CA9E008F0, 16 bytes long.
 Data: <  $&#250;&#246;           > 10 04 24 FA F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022CA9E016B0, 16 bytes long.
 Data: <p $&#250;&#246;           > 70 04 24 FA F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022CA9E01610, 16 bytes long.
 Data: < &#192;"&#250;&#246;           > 18 C0 22 FA F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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