Task 38688243

Name test_289-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND2745_0
Workunit 31629603
Created 28 Oct 2026, 12:39:23 UTC
Sent 28 Oct 2026, 12:39:27 UTC
Report deadline 2 Nov 2026, 12:39:27 UTC
Received 28 Oct 2026, 14:38:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610900
Run time 58 min 40 sec
CPU time 52 min 1 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 735.16 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>
09:39:48 (60580): wrapper (7.9.26016): starting
09:39:48 (60580): 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
09:39:49 (60580): Library/usr/bin/tar.exe exited; CPU time 0.031250
09:39:49 (60580): 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
10:37:44 (60580): C:/Windows/system32/cmd.exe exited; CPU time 3121.734375
10:37:44 (60580): 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: 83247619 bytes.
Dumping objects ->
{3835500} normal block at 0x0000024ACE204560, 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 0x0000024ACE2044F0, 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 0x0000024ACE204410, 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 0x0000024ACE204720, 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 0x0000024ACE2043A0, 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 0x0000024ACFFF9E30, 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 0x0000024ACE1FEE10, 8 bytes long.
 Data: <  {&#206;J   > 00 00 7B CE 4A 02 00 00 
{3833959} normal block at 0x0000024ACE1FE2D0, 8 bytes long.
 Data: <&#160;&#204;"&#206;J   > A0 CC 22 CE 4A 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000024ACE200ED0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000024ACE1EF390, 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 0x0000024ACE2057C0, 16 bytes long.
 Data: < a &#206;J           > 98 61 20 CE 4A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024ACE2054A0, 16 bytes long.
 Data: <pa &#206;J           > 70 61 20 CE 4A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024ACE1FF840, 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 0x0000024ACE205130, 16 bytes long.
 Data: <Ha &#206;J           > 48 61 20 CE 4A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024ACE2050E0, 16 bytes long.
 Data: < a &#206;J           > 20 61 20 CE 4A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024ACE205E00, 16 bytes long.
 Data: <&#248;` &#206;J           > F8 60 20 CE 4A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024ACE205950, 16 bytes long.
 Data: <&#208;` &#206;J           > D0 60 20 CE 4A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024ACE2045D0, 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 0x0000024ACE205C20, 16 bytes long.
 Data: <&#232;&#180; &#206;J           > E8 B4 1E CE 4A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024ACE1FFAE0, 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 0x0000024ACE205770, 16 bytes long.
 Data: <&#192;&#180; &#206;J           > C0 B4 1E CE 4A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024ACE205040, 16 bytes long.
 Data: < &#180; &#206;J           > 98 B4 1E CE 4A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024ACE2058B0, 16 bytes long.
 Data: <p&#180; &#206;J           > 70 B4 1E CE 4A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024ACE205720, 16 bytes long.
 Data: <H&#180; &#206;J           > 48 B4 1E CE 4A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024ACE2059F0, 16 bytes long.
 Data: < &#180; &#206;J           > 20 B4 1E CE 4A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024ACE2056D0, 16 bytes long.
 Data: <&#248;&#179; &#206;J           > F8 B3 1E CE 4A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024ACE1FF960, 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 0x0000024ACE205BD0, 16 bytes long.
 Data: <&#208;&#179; &#206;J           > D0 B3 1E CE 4A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024ACE1EB3D0, 320 bytes long.
 Data: <&#208;[ &#206;J   `&#249; &#206;J   > D0 5B 20 CE 4A 02 00 00 60 F9 1F CE 4A 02 00 00 
{275} normal block at 0x0000024ACE205270, 16 bytes long.
 Data: <&#176;` &#206;J           > B0 60 20 CE 4A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024ACE204FF0, 16 bytes long.
 Data: < ` &#206;J           > 88 60 20 CE 4A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024ACE1FF2A0, 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 0x0000024ACE205450, 16 bytes long.
 Data: <`` &#206;J           > 60 60 20 CE 4A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024ACE1FFA80, 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 0x0000024ACE205090, 16 bytes long.
 Data: <&#168;_ &#206;J           > A8 5F 20 CE 4A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024ACE205AE0, 16 bytes long.
 Data: < _ &#206;J           > 80 5F 20 CE 4A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024ACE205630, 16 bytes long.
 Data: <X_ &#206;J           > 58 5F 20 CE 4A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024ACE205400, 16 bytes long.
 Data: <0_ &#206;J           > 30 5F 20 CE 4A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024ACE2059A0, 16 bytes long.
 Data: < _ &#206;J           > 08 5F 20 CE 4A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024ACE205DB0, 16 bytes long.
 Data: <&#224;^ &#206;J           > E0 5E 20 CE 4A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024ACE2055E0, 16 bytes long.
 Data: <PB &#206;J           > 50 42 20 CE 4A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024ACE204250, 40 bytes long.
 Data: <&#224;U &#206;J   0&#158;&#255;&#207;J   > E0 55 20 CE 4A 02 00 00 30 9E FF CF 4A 02 00 00 
{261} normal block at 0x0000024ACE205CC0, 16 bytes long.
 Data: <&#192;^ &#206;J           > C0 5E 20 CE 4A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024ACE204FA0, 16 bytes long.
 Data: < ^ &#206;J           > 98 5E 20 CE 4A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024ACE1FFF00, 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 0x0000024ACE205590, 16 bytes long.
 Data: <p^ &#206;J           > 70 5E 20 CE 4A 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000024ACE205E70, 992 bytes long.
 Data: < U &#206;J    &#255; &#206;J   > 90 55 20 CE 4A 02 00 00 00 FF 1F CE 4A 02 00 00 
{93} normal block at 0x0000024ACE1FFD20, 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 0x0000024ACE1FEB90, 16 bytes long.
 Data: < &#211; &#206;J           > 00 D3 1E CE 4A 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000024ACE1ED300, 40 bytes long.
 Data: < &#235; &#206;J    &#253; &#206;J   > 90 EB 1F CE 4A 02 00 00 20 FD 1F CE 4A 02 00 00 
{70} normal block at 0x0000024ACE1FE640, 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 0x0000024ACE1FE370, 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 0x0000024ACE1FEDC0, 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 0x0000024ACE1FE910, 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 0x0000024ACE1FF130, 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 0x0000024ACE1FF0E0, 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 0x0000024ACE1FE870, 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 0x0000024ACE1FE500, 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 0x0000024ACE1FE8C0, 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 0x0000024ACE1FF040, 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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