Task 38688696

Name test_866-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND7219_0
Workunit 31630020
Created 28 Oct 2026, 15:39:01 UTC
Sent 28 Oct 2026, 15:39:06 UTC
Report deadline 2 Nov 2026, 15:39:06 UTC
Received 28 Oct 2026, 16:38:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610900
Run time 58 min 48 sec
CPU time 51 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,990.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 736.47 MB
Peak swap size 9.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
11:40:40 (61360): wrapper (7.9.26016): starting
11:40:40 (61360): 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
11:40:41 (61360): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:40:41 (61360): 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
12:38:22 (61360): C:/Windows/system32/cmd.exe exited; CPU time 3100.593750
12:38:22 (61360): 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: 82846463 bytes.
Dumping objects ->
{3835500} normal block at 0x000001950DC04820, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835489} normal block at 0x000001950DC047B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835478} normal block at 0x000001950DC046D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835467} normal block at 0x000001950DC045F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x000001950DC04C80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835425} normal block at 0x000001950F99ABF0, 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) : {3835412} normal block at 0x000001950DBFECF0, 8 bytes long.
 Data: <    &#149;   > 00 00 0D 0E 95 01 00 00 
{3833959} normal block at 0x000001950DBFF5B0, 8 bytes long.
 Data: <&#176;&#223;  &#149;   > B0 DF 80 0F 95 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001950DC006D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001950DBF6360, 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 0x000001950DC05A30, 16 bytes long.
 Data: <&#200;g&#192; &#149;           > C8 67 C0 0D 95 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001950DC06250, 16 bytes long.
 Data: <&#160;g&#192; &#149;           > A0 67 C0 0D 95 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001950DBFF960, 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 0x000001950DC05710, 16 bytes long.
 Data: <xg&#192; &#149;           > 78 67 C0 0D 95 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001950DC05CB0, 16 bytes long.
 Data: <Pg&#192; &#149;           > 50 67 C0 0D 95 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001950DC05A80, 16 bytes long.
 Data: <(g&#192; &#149;           > 28 67 C0 0D 95 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001950DC056C0, 16 bytes long.
 Data: < g&#192; &#149;           > 00 67 C0 0D 95 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001950DC04CF0, 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 0x000001950DC062A0, 16 bytes long.
 Data: <&#232;&#180;&#190; &#149;           > E8 B4 BE 0D 95 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001950DBFF7E0, 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 0x000001950DC058F0, 16 bytes long.
 Data: <&#192;&#180;&#190; &#149;           > C0 B4 BE 0D 95 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001950DC05670, 16 bytes long.
 Data: < &#180;&#190; &#149;           > 98 B4 BE 0D 95 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001950DC05800, 16 bytes long.
 Data: <p&#180;&#190; &#149;           > 70 B4 BE 0D 95 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001950DC05FD0, 16 bytes long.
 Data: <H&#180;&#190; &#149;           > 48 B4 BE 0D 95 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001950DC062F0, 16 bytes long.
 Data: < &#180;&#190; &#149;           > 20 B4 BE 0D 95 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001950DC05C60, 16 bytes long.
 Data: <&#248;&#179;&#190; &#149;           > F8 B3 BE 0D 95 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001950DBFFA20, 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 0x000001950DC05DA0, 16 bytes long.
 Data: <&#208;&#179;&#190; &#149;           > D0 B3 BE 0D 95 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001950DBEB3D0, 320 bytes long.
 Data: <&#160;]&#192; &#149;    &#250;&#191; &#149;   > A0 5D C0 0D 95 01 00 00 20 FA BF 0D 95 01 00 00 
{275} normal block at 0x000001950DC058A0, 16 bytes long.
 Data: <&#224;f&#192; &#149;           > E0 66 C0 0D 95 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001950DC060C0, 16 bytes long.
 Data: <&#184;f&#192; &#149;           > B8 66 C0 0D 95 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001950DC00080, 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 0x000001950DC05F80, 16 bytes long.
 Data: < f&#192; &#149;           > 90 66 C0 0D 95 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001950DBFF8A0, 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 0x000001950DC05DF0, 16 bytes long.
 Data: <&#216;e&#192; &#149;           > D8 65 C0 0D 95 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001950DC06070, 16 bytes long.
 Data: <&#176;e&#192; &#149;           > B0 65 C0 0D 95 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001950DC061B0, 16 bytes long.
 Data: < e&#192; &#149;           > 88 65 C0 0D 95 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001950DC05580, 16 bytes long.
 Data: <`e&#192; &#149;           > 60 65 C0 0D 95 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001950DC06160, 16 bytes long.
 Data: <8e&#192; &#149;           > 38 65 C0 0D 95 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001950DC06110, 16 bytes long.
 Data: < e&#192; &#149;           > 10 65 C0 0D 95 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001950DC055D0, 16 bytes long.
 Data: <&#224;I&#192; &#149;           > E0 49 C0 0D 95 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001950DC049E0, 40 bytes long.
 Data: <&#208;U&#192; &#149;   &#240;&#171;  &#149;   > D0 55 C0 0D 95 01 00 00 F0 AB 99 0F 95 01 00 00 
{261} normal block at 0x000001950DC059E0, 16 bytes long.
 Data: <&#240;d&#192; &#149;           > F0 64 C0 0D 95 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001950DC06200, 16 bytes long.
 Data: <&#200;d&#192; &#149;           > C8 64 C0 0D 95 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001950DBFF900, 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 0x000001950DC05620, 16 bytes long.
 Data: <&#160;d&#192; &#149;           > A0 64 C0 0D 95 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001950DC064A0, 992 bytes long.
 Data: < V&#192; &#149;    &#249;&#191; &#149;   > 20 56 C0 0D 95 01 00 00 00 F9 BF 0D 95 01 00 00 
{93} normal block at 0x000001950DBFF6C0, 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 0x000001950DBFE980, 16 bytes long.
 Data: <0&#198;&#190; &#149;           > 30 C6 BE 0D 95 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001950DBEC630, 40 bytes long.
 Data: < &#233;&#191; &#149;   &#192;&#246;&#191; &#149;   > 80 E9 BF 0D 95 01 00 00 C0 F6 BF 0D 95 01 00 00 
{70} normal block at 0x000001950DBFF330, 16 bytes long.
 Data: < &#234; &#191;&#246;           > 80 EA 98 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001950DBFEC00, 16 bytes long.
 Data: <@&#233; &#191;&#246;           > 40 E9 98 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001950DBFE840, 16 bytes long.
 Data: <&#248;W&#149;&#191;&#246;           > F8 57 95 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001950DBFEC50, 16 bytes long.
 Data: <&#216;W&#149;&#191;&#246;           > D8 57 95 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001950DBFEE80, 16 bytes long.
 Data: <P &#149;&#191;&#246;           > 50 04 95 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001950DBFEE30, 16 bytes long.
 Data: <0 &#149;&#191;&#246;           > 30 04 95 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001950DBFF1A0, 16 bytes long.
 Data: <&#224; &#149;&#191;&#246;           > E0 02 95 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001950DBFE930, 16 bytes long.
 Data: <  &#149;&#191;&#246;           > 10 04 95 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001950DBFF1F0, 16 bytes long.
 Data: <p &#149;&#191;&#246;           > 70 04 95 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001950DBFEFC0, 16 bytes long.
 Data: < &#192;&#147;&#191;&#246;           > 18 C0 93 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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