Task 38672597

Name test_875-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND9650_0
Workunit 31614725
Created 25 Oct 2026, 23:53:17 UTC
Sent 25 Oct 2026, 23:53:21 UTC
Report deadline 30 Oct 2026, 23:53:21 UTC
Received 26 Oct 2026, 2:01:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648022
Run time 32 min 51 sec
CPU time 30 min 55 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 18,986.54 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 807.66 MB
Peak swap size 10.01 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:19:46 (17660): wrapper (7.9.26016): starting
03:19:46 (17660): 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
03:19:47 (17660): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:19:47 (17660): 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
03:51:38 (17660): C:/Windows/system32/cmd.exe exited; CPU time 1855.703125
03:51:38 (17660): 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: 54460519 bytes.
Dumping objects ->
{3835491} normal block at 0x00000152F12FCEE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835480} normal block at 0x00000152F12FD260, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835469} normal block at 0x00000152F12FCF50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835458} normal block at 0x00000152EF515100, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835447} normal block at 0x00000152EF515090, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835416} normal block at 0x00000152F13467F0, 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) : {3835403} normal block at 0x00000152EF50DCC0, 8 bytes long.
 Data: <  &#176;&#239;R   > 00 00 B0 EF 52 01 00 00 
{3833963} normal block at 0x00000152EF50DE50, 8 bytes long.
 Data: < GQ&#239;R   > 20 47 51 EF 52 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000152EF511C00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000152EF506BD0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000152EF516610, 16 bytes long.
 Data: <xlQ&#239;R           > 78 6C 51 EF 52 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000152EF516750, 16 bytes long.
 Data: <PlQ&#239;R           > 50 6C 51 EF 52 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000152EF50F890, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000152EF516430, 16 bytes long.
 Data: <(lQ&#239;R           > 28 6C 51 EF 52 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000152EF516890, 16 bytes long.
 Data: < lQ&#239;R           > 00 6C 51 EF 52 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000152EF516340, 16 bytes long.
 Data: <&#216;kQ&#239;R           > D8 6B 51 EF 52 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000152EF5162F0, 16 bytes long.
 Data: <&#176;kQ&#239;R           > B0 6B 51 EF 52 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000152EF514ED0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000152EF516160, 16 bytes long.
 Data: < &#147;P&#239;R           > 98 93 50 EF 52 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000152EF50FB30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000152EF5164D0, 16 bytes long.
 Data: <p&#147;P&#239;R           > 70 93 50 EF 52 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000152EF515B20, 16 bytes long.
 Data: <H&#147;P&#239;R           > 48 93 50 EF 52 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000152EF515AD0, 16 bytes long.
 Data: < &#147;P&#239;R           > 20 93 50 EF 52 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000152EF515A80, 16 bytes long.
 Data: <&#248;&#146;P&#239;R           > F8 92 50 EF 52 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000152EF516110, 16 bytes long.
 Data: <&#208;&#146;P&#239;R           > D0 92 50 EF 52 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000152EF5162A0, 16 bytes long.
 Data: <&#168;&#146;P&#239;R           > A8 92 50 EF 52 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000152EF50F7D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000152EF516520, 16 bytes long.
 Data: < &#146;P&#239;R           > 80 92 50 EF 52 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000152EF509280, 320 bytes long.
 Data: < eQ&#239;R   &#208;&#247;P&#239;R   > 20 65 51 EF 52 01 00 00 D0 F7 50 EF 52 01 00 00 
{277} normal block at 0x00000152EF5159E0, 16 bytes long.
 Data: < kQ&#239;R           > 90 6B 51 EF 52 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000152EF515F30, 16 bytes long.
 Data: <hkQ&#239;R           > 68 6B 51 EF 52 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000152EF50F5F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x00000152EF515D50, 16 bytes long.
 Data: <@kQ&#239;R           > 40 6B 51 EF 52 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000152EF510190, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000152EF515EE0, 16 bytes long.
 Data: < jQ&#239;R           > 88 6A 51 EF 52 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000152EF515A30, 16 bytes long.
 Data: <`jQ&#239;R           > 60 6A 51 EF 52 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000152EF516570, 16 bytes long.
 Data: <8jQ&#239;R           > 38 6A 51 EF 52 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000152EF515F80, 16 bytes long.
 Data: < jQ&#239;R           > 10 6A 51 EF 52 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000152EF5160C0, 16 bytes long.
 Data: <&#232;iQ&#239;R           > E8 69 51 EF 52 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000152EF5163E0, 16 bytes long.
 Data: <&#192;iQ&#239;R           > C0 69 51 EF 52 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000152EF516840, 16 bytes long.
 Data: < TQ&#239;R           > 80 54 51 EF 52 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000152EF515480, 40 bytes long.
 Data: <@hQ&#239;R   &#240;g4&#241;R   > 40 68 51 EF 52 01 00 00 F0 67 34 F1 52 01 00 00 
{263} normal block at 0x00000152EF516020, 16 bytes long.
 Data: <&#160;iQ&#239;R           > A0 69 51 EF 52 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000152EF5167F0, 16 bytes long.
 Data: <xiQ&#239;R           > 78 69 51 EF 52 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000152EF5101F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x00000152EF515990, 16 bytes long.
 Data: <PiQ&#239;R           > 50 69 51 EF 52 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000152EF516950, 992 bytes long.
 Data: < YQ&#239;R   &#240; Q&#239;R   > 90 59 51 EF 52 01 00 00 F0 01 51 EF 52 01 00 00 
{95} normal block at 0x00000152EF50F530, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x00000152EF50D9A0, 16 bytes long.
 Data: <&#160;SQ&#239;R           > A0 53 51 EF 52 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000152EF5153A0, 40 bytes long.
 Data: <&#160;&#217;P&#239;R   0&#245;P&#239;R   > A0 D9 50 EF 52 01 00 00 30 F5 50 EF 52 01 00 00 
{72} normal block at 0x00000152EF50DBD0, 16 bytes long.
 Data: < &#234;&#249;P&#246;           > 80 EA F9 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000152EF50DA90, 16 bytes long.
 Data: <@&#233;&#249;P&#246;           > 40 E9 F9 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000152EF50D4F0, 16 bytes long.
 Data: <&#248;W&#246;P&#246;           > F8 57 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000152EF50DB30, 16 bytes long.
 Data: <&#216;W&#246;P&#246;           > D8 57 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000152EF50D7C0, 16 bytes long.
 Data: <P &#246;P&#246;           > 50 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000152EF50DDB0, 16 bytes long.
 Data: <0 &#246;P&#246;           > 30 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000152EF50D950, 16 bytes long.
 Data: <&#224; &#246;P&#246;           > E0 02 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000152EF50DAE0, 16 bytes long.
 Data: <  &#246;P&#246;           > 10 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000152EF50D860, 16 bytes long.
 Data: <p &#246;P&#246;           > 70 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000152EF50DB80, 16 bytes long.
 Data: < &#192;&#244;P&#246;           > 18 C0 F4 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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