Task 38676609

Name test_934-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND8174_0
Workunit 31618512
Created 26 Oct 2026, 11:49:19 UTC
Sent 26 Oct 2026, 11:49:26 UTC
Report deadline 31 Oct 2026, 11:49:26 UTC
Received 26 Oct 2026, 13:17:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 562809
Run time 1 hours 12 min 7 sec
CPU time 1 hours 8 min 4 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,255.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 641.23 MB
Peak swap size 5.32 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:07:19 (1520): wrapper (7.9.26016): starting
06:07:19 (1520): 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
06:07:21 (1520): Library/usr/bin/tar.exe exited; CPU time 21.000000
06:07:21 (1520): 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
07:16:39 (1520): C:/Windows/system32/cmd.exe exited; CPU time 4063.359375
07:16:39 (1520): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 47630587 bytes.
Dumping objects ->
{3835251} normal block at 0x000001F527280D10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x000001F527280FB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x000001F527281020, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835218} normal block at 0x000001F527280BC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x000001F527280E60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835176} normal block at 0x000001F5273737E0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x000001F5258A3260, 235 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) : {3835162} normal block at 0x000001F525897190, 8 bytes long.
 Data: <   %&#245;   > 00 00 80 25 F5 01 00 00 
{3834555} normal block at 0x000001F5258A2C70, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x000001F525897500, 8 bytes long.
 Data: <&#208;"@'&#245;   > D0 22 40 27 F5 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001F5258A04C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F52589C7D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000001F5258A18C0, 16 bytes long.
 Data: < ;&#138;%&#245;           > 08 3B 8A 25 F5 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F5258A1690, 16 bytes long.
 Data: <&#224;:&#138;%&#245;           > E0 3A 8A 25 F5 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F52589D270, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000001F5258A15F0, 16 bytes long.
 Data: <&#184;:&#138;%&#245;           > B8 3A 8A 25 F5 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F5258A15A0, 16 bytes long.
 Data: < :&#138;%&#245;           > 90 3A 8A 25 F5 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F5258A1FA0, 16 bytes long.
 Data: <h:&#138;%&#245;           > 68 3A 8A 25 F5 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F5258A1460, 16 bytes long.
 Data: <@:&#138;%&#245;           > 40 3A 8A 25 F5 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F52589B6F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000001F5258A1870, 16 bytes long.
 Data: <h&#199;&#137;%&#245;           > 68 C7 89 25 F5 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F52589CF10, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000001F5258A22C0, 16 bytes long.
 Data: <@&#199;&#137;%&#245;           > 40 C7 89 25 F5 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F5258A2310, 16 bytes long.
 Data: < &#199;&#137;%&#245;           > 18 C7 89 25 F5 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F5258A1410, 16 bytes long.
 Data: <&#240;&#198;&#137;%&#245;           > F0 C6 89 25 F5 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F5258A1E10, 16 bytes long.
 Data: <&#200;&#198;&#137;%&#245;           > C8 C6 89 25 F5 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F5258A1D20, 16 bytes long.
 Data: <&#160;&#198;&#137;%&#245;           > A0 C6 89 25 F5 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F5258A17D0, 16 bytes long.
 Data: <x&#198;&#137;%&#245;           > 78 C6 89 25 F5 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F52589C8B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000001F5258A2270, 16 bytes long.
 Data: <P&#198;&#137;%&#245;           > 50 C6 89 25 F5 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F52589C650, 320 bytes long.
 Data: <p"&#138;%&#245;   &#176;&#200;&#137;%&#245;   > 70 22 8A 25 F5 01 00 00 B0 C8 89 25 F5 01 00 00 
{268} normal block at 0x000001F5258A1500, 16 bytes long.
 Data: < :&#138;%&#245;           > 20 3A 8A 25 F5 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F5258A1960, 16 bytes long.
 Data: <&#248;9&#138;%&#245;           > F8 39 8A 25 F5 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F52589CC70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000001F5258A2220, 16 bytes long.
 Data: <&#208;9&#138;%&#245;           > D0 39 8A 25 F5 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F52589CBB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000001F5258A1F00, 16 bytes long.
 Data: < 9&#138;%&#245;           > 18 39 8A 25 F5 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F5258A14B0, 16 bytes long.
 Data: <&#240;8&#138;%&#245;           > F0 38 8A 25 F5 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F5258A1A50, 16 bytes long.
 Data: <&#200;8&#138;%&#245;           > C8 38 8A 25 F5 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F5258A1E60, 16 bytes long.
 Data: <&#160;8&#138;%&#245;           > A0 38 8A 25 F5 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F5258A1BE0, 16 bytes long.
 Data: <x8&#138;%&#245;           > 78 38 8A 25 F5 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F5258A1D70, 16 bytes long.
 Data: <P8&#138;%&#245;           > 50 38 8A 25 F5 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001F5258A1550, 16 bytes long.
 Data: < &#186;&#137;%&#245;           > 00 BA 89 25 F5 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001F52589BA00, 40 bytes long.
 Data: <P &#138;%&#245;   &#224;77'&#245;   > 50 15 8A 25 F5 01 00 00 E0 37 37 27 F5 01 00 00 
{254} normal block at 0x000001F5258A1640, 16 bytes long.
 Data: <08&#138;%&#245;           > 30 38 8A 25 F5 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001F5258A1DC0, 16 bytes long.
 Data: < 8&#138;%&#245;           > 08 38 8A 25 F5 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001F52589D2D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000001F5258A2040, 16 bytes long.
 Data: <&#224;7&#138;%&#245;           > E0 37 8A 25 F5 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001F5258A37E0, 992 bytes long.
 Data: <@ &#138;%&#245;   &#208;&#210;&#137;%&#245;   > 40 20 8A 25 F5 01 00 00 D0 D2 89 25 F5 01 00 00 
{86} normal block at 0x000001F52589D750, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000001F525896920, 16 bytes long.
 Data: <&#224;&#186;&#137;%&#245;           > E0 BA 89 25 F5 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001F52589BAE0, 40 bytes long.
 Data: < i&#137;%&#245;   P&#215;&#137;%&#245;   > 20 69 89 25 F5 01 00 00 50 D7 89 25 F5 01 00 00 
{63} normal block at 0x000001F525896CE0, 16 bytes long.
 Data: < &#234;&&#243;&#247;           > 80 EA 26 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F525896EC0, 16 bytes long.
 Data: <@&#233;&&#243;&#247;           > 40 E9 26 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F525896E70, 16 bytes long.
 Data: <&#248;W#&#243;&#247;           > F8 57 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F5258970F0, 16 bytes long.
 Data: <&#216;W#&#243;&#247;           > D8 57 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001F525896AB0, 16 bytes long.
 Data: <P #&#243;&#247;           > 50 04 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001F525896FB0, 16 bytes long.
 Data: <0 #&#243;&#247;           > 30 04 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001F5258975F0, 16 bytes long.
 Data: <&#224; #&#243;&#247;           > E0 02 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001F5258968D0, 16 bytes long.
 Data: <  #&#243;&#247;           > 10 04 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001F525897460, 16 bytes long.
 Data: <p #&#243;&#247;           > 70 04 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001F525897370, 16 bytes long.
 Data: < &#192;!&#243;&#247;           > 18 C0 21 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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