Task 38684027

Name test_637-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND0567_0
Workunit 31625556
Created 27 Oct 2026, 14:24:34 UTC
Sent 27 Oct 2026, 14:24:39 UTC
Report deadline 1 Nov 2026, 14:24:39 UTC
Received 27 Oct 2026, 15:47:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648197
Run time 42 min 47 sec
CPU time 39 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,587.62 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.45 MB
Peak swap size 5.37 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
16:04:53 (10344): wrapper (7.9.26016): starting
16:04:53 (10344): 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
16:04:54 (10344): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:04:54 (10344): 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\7\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\7\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
16:46:34 (10344): C:/Windows/system32/cmd.exe exited; CPU time 2377.921875
16:46:34 (10344): 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: 35417423 bytes.
Dumping objects ->
{3835282} normal block at 0x0000012B530FF000, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835271} normal block at 0x0000012B530FE7B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835260} normal block at 0x0000012B515860D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835249} normal block at 0x0000012B51586060, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835238} normal block at 0x0000012B51585FF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835207} normal block at 0x0000012B53146590, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x0000012B531600C0, 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) : {3835193} normal block at 0x0000012B51580710, 8 bytes long.
 Data: <  OQ+   > 00 00 4F 51 2B 01 00 00 
{3834569} normal block at 0x0000012B5315FCA0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000012B515801C0, 8 bytes long.
 Data: < &#234; S+   > 00 EA 05 53 2B 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000012B5157E5D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000012B51577750, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000012B51587150, 16 bytes long.
 Data: < |XQ+           > 18 7C 58 51 2B 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000012B51586BB0, 16 bytes long.
 Data: <&#240;{XQ+           > F0 7B 58 51 2B 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000012B515812C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000012B515874C0, 16 bytes long.
 Data: <&#200;{XQ+           > C8 7B 58 51 2B 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000012B51587330, 16 bytes long.
 Data: <&#160;{XQ+           > A0 7B 58 51 2B 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000012B51586B60, 16 bytes long.
 Data: <x{XQ+           > 78 7B 58 51 2B 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000012B51586980, 16 bytes long.
 Data: <P{XQ+           > 50 7B 58 51 2B 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000012B51585C00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000012B51586930, 16 bytes long.
 Data: < &#182;VQ+           > 98 B6 56 51 2B 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000012B51581260, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000012B515873D0, 16 bytes long.
 Data: <p&#182;VQ+           > 70 B6 56 51 2B 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000012B51587600, 16 bytes long.
 Data: <H&#182;VQ+           > 48 B6 56 51 2B 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000012B51587240, 16 bytes long.
 Data: < &#182;VQ+           > 20 B6 56 51 2B 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000012B51586B10, 16 bytes long.
 Data: <&#248;&#181;VQ+           > F8 B5 56 51 2B 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000012B51587560, 16 bytes long.
 Data: <&#208;&#181;VQ+           > D0 B5 56 51 2B 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000012B51586FC0, 16 bytes long.
 Data: <&#168;&#181;VQ+           > A8 B5 56 51 2B 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000012B515815C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000012B51586E30, 16 bytes long.
 Data: < &#181;VQ+           > 80 B5 56 51 2B 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000012B5156B580, 320 bytes long.
 Data: <0nXQ+   &#192; XQ+   > 30 6E 58 51 2B 01 00 00 C0 15 58 51 2B 01 00 00 
{276} normal block at 0x0000012B51587290, 16 bytes long.
 Data: <0{XQ+           > 30 7B 58 51 2B 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000012B515872E0, 16 bytes long.
 Data: < {XQ+           > 08 7B 58 51 2B 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000012B51580E40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000012B515870B0, 16 bytes long.
 Data: <&#224;zXQ+           > E0 7A 58 51 2B 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000012B51581140, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000012B51587880, 16 bytes long.
 Data: <(zXQ+           > 28 7A 58 51 2B 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000012B515869D0, 16 bytes long.
 Data: < zXQ+           > 00 7A 58 51 2B 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000012B51587420, 16 bytes long.
 Data: <&#216;yXQ+           > D8 79 58 51 2B 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000012B51586C00, 16 bytes long.
 Data: <&#176;yXQ+           > B0 79 58 51 2B 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000012B51587510, 16 bytes long.
 Data: < yXQ+           > 88 79 58 51 2B 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000012B51586AC0, 16 bytes long.
 Data: <`yXQ+           > 60 79 58 51 2B 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000012B51586F70, 16 bytes long.
 Data: <p\XQ+           > 70 5C 58 51 2B 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000012B51585C70, 40 bytes long.
 Data: <poXQ+    e S+   > 70 6F 58 51 2B 01 00 00 90 65 14 53 2B 01 00 00 
{262} normal block at 0x0000012B51586ED0, 16 bytes long.
 Data: <@yXQ+           > 40 79 58 51 2B 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000012B51587380, 16 bytes long.
 Data: < yXQ+           > 18 79 58 51 2B 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000012B51581A40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000012B51586E80, 16 bytes long.
 Data: <&#240;xXQ+           > F0 78 58 51 2B 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000012B515878F0, 992 bytes long.
 Data: < nXQ+   @ XQ+   > 80 6E 58 51 2B 01 00 00 40 1A 58 51 2B 01 00 00 
{94} normal block at 0x0000012B51581320, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000012B5157FB30, 16 bytes long.
 Data: <&#224;&#239;VQ+           > E0 EF 56 51 2B 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000012B5156EFE0, 40 bytes long.
 Data: <0&#251;WQ+     XQ+   > 30 FB 57 51 2B 01 00 00 20 13 58 51 2B 01 00 00 
{71} normal block at 0x0000012B515800D0, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA BD B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000012B51580A80, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 BD B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000012B51580080, 16 bytes long.
 Data: <&#248;W&#186; &#246;           > F8 57 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000012B5157FEF0, 16 bytes long.
 Data: <&#216;W&#186; &#246;           > D8 57 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000012B5157FE00, 16 bytes long.
 Data: <P &#186; &#246;           > 50 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000012B51580580, 16 bytes long.
 Data: <0 &#186; &#246;           > 30 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000012B515802B0, 16 bytes long.
 Data: <&#224; &#186; &#246;           > E0 02 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000012B51580350, 16 bytes long.
 Data: <  &#186; &#246;           > 10 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000012B51580530, 16 bytes long.
 Data: <p &#186; &#246;           > 70 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000012B5157FE50, 16 bytes long.
 Data: < &#192;&#184; &#246;           > 18 C0 B8 B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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