Task 38699956

Name test_153-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND3779_0
Workunit 31640299
Created 6 Nov 2026, 9:52:47 UTC
Sent 6 Nov 2026, 9:52:55 UTC
Report deadline 11 Nov 2026, 9:52:55 UTC
Received 6 Nov 2026, 12:58:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 655048
Run time 1 hours 13 min 48 sec
CPU time 1 hours 8 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,878.75 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 651.46 MB
Peak swap size 2.31 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:45:21 (6116): wrapper (7.9.26016): starting
12:45:21 (6116): 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
12:45:23 (6116): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:45:23 (6116): 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
13:57:19 (6116): C:/Windows/system32/cmd.exe exited; CPU time 4137.265625
13:57:19 (6116): 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: 48650009 bytes.
Dumping objects ->
{3835183} normal block at 0x00000262DA015030, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835172} normal block at 0x00000262DA015570, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835161} normal block at 0x00000262DA0157A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835150} normal block at 0x00000262DA0158F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835139} normal block at 0x00000262DA015AB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835108} normal block at 0x00000262DBA55110, 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) : {3835095} normal block at 0x00000262D9FE6440, 8 bytes long.
 Data: <  &#251;&#217;b   > 00 00 FB D9 62 02 00 00 
{3833951} normal block at 0x00000262D9FE6A30, 8 bytes long.
 Data: <&#176;&#190;&#253;&#217;b   > B0 BE FD D9 62 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000262D9FF0840, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000262D9FF1780, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x00000262D9FF2280, 16 bytes long.
 Data: < - &#217;b           > 18 2D FF D9 62 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000262D9FF1A10, 16 bytes long.
 Data: <&#240;, &#217;b           > F0 2C FF D9 62 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000262D9FE52C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x00000262D9FF2640, 16 bytes long.
 Data: <&#200;, &#217;b           > C8 2C FF D9 62 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000262D9FF20A0, 16 bytes long.
 Data: <&#160;, &#217;b           > A0 2C FF D9 62 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000262D9FF20F0, 16 bytes long.
 Data: <x, &#217;b           > 78 2C FF D9 62 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000262D9FF2190, 16 bytes long.
 Data: <P, &#217;b           > 50 2C FF D9 62 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000262D9FEC450, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x00000262D9FF1B00, 16 bytes long.
 Data: <   &#217;b           > 18 17 FF D9 62 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000262D9FE57A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x00000262D9FF1D30, 16 bytes long.
 Data: <&#240;  &#217;b           > F0 16 FF D9 62 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000262D9FF18D0, 16 bytes long.
 Data: <&#200;  &#217;b           > C8 16 FF D9 62 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000262D9FF2230, 16 bytes long.
 Data: <&#160;  &#217;b           > A0 16 FF D9 62 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000262D9FF1AB0, 16 bytes long.
 Data: <x  &#217;b           > 78 16 FF D9 62 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000262D9FF1C90, 16 bytes long.
 Data: <P  &#217;b           > 50 16 FF D9 62 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000262D9FF2780, 16 bytes long.
 Data: <(  &#217;b           > 28 16 FF D9 62 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000262D9FE5EC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x00000262D9FF2730, 16 bytes long.
 Data: <   &#217;b           > 00 16 FF D9 62 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000262D9FF1600, 320 bytes long.
 Data: <0' &#217;b   &#192;^&#254;&#217;b   > 30 27 FF D9 62 02 00 00 C0 5E FE D9 62 02 00 00 
{271} normal block at 0x00000262D9FF1BF0, 16 bytes long.
 Data: <0, &#217;b           > 30 2C FF D9 62 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000262D9FF1E20, 16 bytes long.
 Data: < , &#217;b           > 08 2C FF D9 62 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000262D9FE5260, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x00000262D9FF2410, 16 bytes long.
 Data: <&#224;+ &#217;b           > E0 2B FF D9 62 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000262D9FE5140, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x00000262D9FF25A0, 16 bytes long.
 Data: <(+ &#217;b           > 28 2B FF D9 62 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000262D9FF1DD0, 16 bytes long.
 Data: < + &#217;b           > 00 2B FF D9 62 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000262D9FF2460, 16 bytes long.
 Data: <&#216;* &#217;b           > D8 2A FF D9 62 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000262D9FF1C40, 16 bytes long.
 Data: <&#176;* &#217;b           > B0 2A FF D9 62 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000262D9FF23C0, 16 bytes long.
 Data: < * &#217;b           > 88 2A FF D9 62 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000262D9FF1880, 16 bytes long.
 Data: <`* &#217;b           > 60 2A FF D9 62 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000262D9FF2140, 16 bytes long.
 Data: <&#192;&#196;&#254;&#217;b           > C0 C4 FE D9 62 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000262D9FEC4C0, 40 bytes long.
 Data: <@! &#217;b    Q&#165;&#219;b   > 40 21 FF D9 62 02 00 00 10 51 A5 DB 62 02 00 00 
{257} normal block at 0x00000262D9FF25F0, 16 bytes long.
 Data: <@* &#217;b           > 40 2A FF D9 62 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000262D9FF19C0, 16 bytes long.
 Data: < * &#217;b           > 18 2A FF D9 62 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000262D9FE5AA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x00000262D9FF1EC0, 16 bytes long.
 Data: <&#240;) &#217;b           > F0 29 FF D9 62 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000262D9FF29F0, 992 bytes long.
 Data: <&#192;  &#217;b   &#160;Z&#254;&#217;b   > C0 1E FF D9 62 02 00 00 A0 5A FE D9 62 02 00 00 
{89} normal block at 0x00000262D9FE5860, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x00000262D9FE6490, 16 bytes long.
 Data: <&#160;&#197;&#254;&#217;b           > A0 C5 FE D9 62 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x00000262D9FEC5A0, 40 bytes long.
 Data: < d&#254;&#217;b   `X&#254;&#217;b   > 90 64 FE D9 62 02 00 00 60 58 FE D9 62 02 00 00 
{66} normal block at 0x00000262D9FE6300, 16 bytes long.
 Data: < &#234; ?&#246;           > 80 EA A2 3F F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000262D9FE6DF0, 16 bytes long.
 Data: <@&#233; ?&#246;           > 40 E9 A2 3F F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000262D9FE6580, 16 bytes long.
 Data: <&#248;W&#159;?&#246;           > F8 57 9F 3F F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000262D9FE68A0, 16 bytes long.
 Data: <&#216;W&#159;?&#246;           > D8 57 9F 3F F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000262D9FE6D50, 16 bytes long.
 Data: <P &#159;?&#246;           > 50 04 9F 3F F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000262D9FE6990, 16 bytes long.
 Data: <0 &#159;?&#246;           > 30 04 9F 3F F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000262D9FE6080, 16 bytes long.
 Data: <&#224; &#159;?&#246;           > E0 02 9F 3F F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000262D9FE6F80, 16 bytes long.
 Data: <  &#159;?&#246;           > 10 04 9F 3F F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000262D9FE62B0, 16 bytes long.
 Data: <p &#159;?&#246;           > 70 04 9F 3F F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000262D9FE6260, 16 bytes long.
 Data: < &#192;&#157;?&#246;           > 18 C0 9D 3F F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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