Task 38676380

Name test_631-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND0730_0
Workunit 31618301
Created 26 Oct 2026, 11:09:43 UTC
Sent 26 Oct 2026, 11:09:44 UTC
Report deadline 31 Oct 2026, 11:09:44 UTC
Received 26 Oct 2026, 12:47:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 332854
Run time 37 min 29 sec
CPU time 34 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 17,076.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 676.20 MB
Peak swap size 2.35 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:09:55 (7516): wrapper (7.9.26016): starting
09:09:55 (7516): 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
09:09:57 (7516): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:09:57 (7516): 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
09:47:01 (7516): C:/Windows/system32/cmd.exe exited; CPU time 2057.421875
09:47:01 (7516): 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: 38765921 bytes.
Dumping objects ->
{3835203} normal block at 0x000001E739F678F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x000001E739F67730, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835181} normal block at 0x000001E739F67880, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835170} normal block at 0x000001E739F68140, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835159} normal block at 0x000001E739F67A40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835128} normal block at 0x000001E73BA9D580, 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) : {3835115} normal block at 0x000001E739F39A90, 8 bytes long.
 Data: <  &#237;9&#231;   > 00 00 ED 39 E7 01 00 00 
{3833949} normal block at 0x000001E739F39680, 8 bytes long.
 Data: <&#192; &#162;;&#231;   > C0 00 A2 3B E7 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001E739F42CA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E739F26750, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000001E739F449B0, 16 bytes long.
 Data: <xQ&#244;9&#231;           > 78 51 F4 39 E7 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E739F44910, 16 bytes long.
 Data: <PQ&#244;9&#231;           > 50 51 F4 39 E7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E739F3FC70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000001E739F44000, 16 bytes long.
 Data: <(Q&#244;9&#231;           > 28 51 F4 39 E7 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E739F43E70, 16 bytes long.
 Data: < Q&#244;9&#231;           > 00 51 F4 39 E7 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E739F441E0, 16 bytes long.
 Data: <&#216;P&#244;9&#231;           > D8 50 F4 39 E7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E739F43E20, 16 bytes long.
 Data: <&#176;P&#244;9&#231;           > B0 50 F4 39 E7 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E739F3E290, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000001E739F44550, 16 bytes long.
 Data: < &#243;&#243;9&#231;           > 18 F3 F3 39 E7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E739F40210, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000001E739F43FB0, 16 bytes long.
 Data: <&#240;&#242;&#243;9&#231;           > F0 F2 F3 39 E7 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E739F448C0, 16 bytes long.
 Data: <&#200;&#242;&#243;9&#231;           > C8 F2 F3 39 E7 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E739F43D80, 16 bytes long.
 Data: <&#160;&#242;&#243;9&#231;           > A0 F2 F3 39 E7 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E739F44780, 16 bytes long.
 Data: <x&#242;&#243;9&#231;           > 78 F2 F3 39 E7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E739F446E0, 16 bytes long.
 Data: <P&#242;&#243;9&#231;           > 50 F2 F3 39 E7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E739F44500, 16 bytes long.
 Data: <(&#242;&#243;9&#231;           > 28 F2 F3 39 E7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E739F3F6D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000001E739F44410, 16 bytes long.
 Data: < &#242;&#243;9&#231;           > 00 F2 F3 39 E7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E739F3F200, 320 bytes long.
 Data: < D&#244;9&#231;   &#208;&#246;&#243;9&#231;   > 10 44 F4 39 E7 01 00 00 D0 F6 F3 39 E7 01 00 00 
{270} normal block at 0x000001E739F43DD0, 16 bytes long.
 Data: < P&#244;9&#231;           > 90 50 F4 39 E7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E739F44190, 16 bytes long.
 Data: <hP&#244;9&#231;           > 68 50 F4 39 E7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E739F3FCD0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000001E739F445A0, 16 bytes long.
 Data: <@P&#244;9&#231;           > 40 50 F4 39 E7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E739F40030, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000001E739F44690, 16 bytes long.
 Data: < O&#244;9&#231;           > 88 4F F4 39 E7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E739F44640, 16 bytes long.
 Data: <`O&#244;9&#231;           > 60 4F F4 39 E7 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E739F440F0, 16 bytes long.
 Data: <8O&#244;9&#231;           > 38 4F F4 39 E7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E739F43F60, 16 bytes long.
 Data: < O&#244;9&#231;           > 10 4F F4 39 E7 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E739F444B0, 16 bytes long.
 Data: <&#232;N&#244;9&#231;           > E8 4E F4 39 E7 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E739F44C30, 16 bytes long.
 Data: <&#192;N&#244;9&#231;           > C0 4E F4 39 E7 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E739F44B40, 16 bytes long.
 Data: <P&#221;&#243;9&#231;           > 50 DD F3 39 E7 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001E739F3DD50, 40 bytes long.
 Data: <@K&#244;9&#231;    &#213;&#169;;&#231;   > 40 4B F4 39 E7 01 00 00 80 D5 A9 3B E7 01 00 00 
{256} normal block at 0x000001E739F44820, 16 bytes long.
 Data: <&#160;N&#244;9&#231;           > A0 4E F4 39 E7 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001E739F442D0, 16 bytes long.
 Data: <xN&#244;9&#231;           > 78 4E F4 39 E7 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001E739F3F910, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000001E739F43D30, 16 bytes long.
 Data: <PN&#244;9&#231;           > 50 4E F4 39 E7 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001E739F44E50, 992 bytes long.
 Data: <0=&#244;9&#231;    &#249;&#243;9&#231;   > 30 3D F4 39 E7 01 00 00 10 F9 F3 39 E7 01 00 00 
{88} normal block at 0x000001E739F3F5B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000001E739F39C20, 16 bytes long.
 Data: <&#208;&#224;&#243;9&#231;           > D0 E0 F3 39 E7 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001E739F3E0D0, 40 bytes long.
 Data: < &#156;&#243;9&#231;   &#176;&#245;&#243;9&#231;   > 20 9C F3 39 E7 01 00 00 B0 F5 F3 39 E7 01 00 00 
{65} normal block at 0x000001E739F39630, 16 bytes long.
 Data: < &#234;&#163;,&#247;           > 80 EA A3 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E739F39B80, 16 bytes long.
 Data: <@&#233;&#163;,&#247;           > 40 E9 A3 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E739F39B30, 16 bytes long.
 Data: <&#248;W&#160;,&#247;           > F8 57 A0 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E739F38F50, 16 bytes long.
 Data: <&#216;W&#160;,&#247;           > D8 57 A0 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E739F39220, 16 bytes long.
 Data: <P &#160;,&#247;           > 50 04 A0 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001E739F391D0, 16 bytes long.
 Data: <0 &#160;,&#247;           > 30 04 A0 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001E739F39590, 16 bytes long.
 Data: <&#224; &#160;,&#247;           > E0 02 A0 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001E739F39770, 16 bytes long.
 Data: <  &#160;,&#247;           > 10 04 A0 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001E739F38FF0, 16 bytes long.
 Data: <p &#160;,&#247;           > 70 04 A0 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001E739F39D60, 16 bytes long.
 Data: < &#192;&#158;,&#247;           > 18 C0 9E 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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