Task 38667394

Name test_569-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND3902_1
Workunit 31610011
Created 25 Oct 2026, 7:44:18 UTC
Sent 25 Oct 2026, 7:44:24 UTC
Report deadline 30 Oct 2026, 7:44:24 UTC
Received 26 Oct 2026, 23:57:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638201
Run time 40 min 49 sec
CPU time 38 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,615.78 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 721.10 MB
Peak swap size 6.86 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:17:18 (11624): wrapper (7.9.26016): starting
17:17:18 (11624): 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
17:17:20 (11624): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:17:20 (11624): 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
17:56:49 (11624): C:/Windows/system32/cmd.exe exited; CPU time 2297.843750
17:56:49 (11624): 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: 38357633 bytes.
Dumping objects ->
{3835263} normal block at 0x00000189E0F2D230, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835252} normal block at 0x00000189E0F2CE40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835241} normal block at 0x00000189E0F2D310, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835230} normal block at 0x00000189DF3048F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x00000189DF304CE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835188} normal block at 0x00000189E0F74DC0, 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) : {3835175} normal block at 0x00000189DF2FF400, 8 bytes long.
 Data: <  -&#223;&#137;   > 00 00 2D DF 89 01 00 00 
{3833961} normal block at 0x00000189DF2FEB90, 8 bytes long.
 Data: < &#222;&#248;&#224;&#137;   > 80 DE F8 E0 89 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000189DF3007A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000189DF2F5D20, 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 0x00000189DF3062E0, 16 bytes long.
 Data: <hg0&#223;&#137;           > 68 67 30 DF 89 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000189DF306240, 16 bytes long.
 Data: <@g0&#223;&#137;           > 40 67 30 DF 89 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000189DF2FFC70, 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 0x00000189DF306290, 16 bytes long.
 Data: < g0&#223;&#137;           > 18 67 30 DF 89 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000189DF305B10, 16 bytes long.
 Data: <&#240;f0&#223;&#137;           > F0 66 30 DF 89 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000189DF306060, 16 bytes long.
 Data: <&#200;f0&#223;&#137;           > C8 66 30 DF 89 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000189DF305700, 16 bytes long.
 Data: <&#160;f0&#223;&#137;           > A0 66 30 DF 89 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000189DF304A40, 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 0x00000189DF3056B0, 16 bytes long.
 Data: <  /&#223;&#137;           > 98 8F 2F DF 89 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000189DF300510, 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 0x00000189DF3061A0, 16 bytes long.
 Data: <p /&#223;&#137;           > 70 8F 2F DF 89 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000189DF305DE0, 16 bytes long.
 Data: <H /&#223;&#137;           > 48 8F 2F DF 89 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000189DF3055C0, 16 bytes long.
 Data: <  /&#223;&#137;           > 20 8F 2F DF 89 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000189DF305660, 16 bytes long.
 Data: <&#248;&#142;/&#223;&#137;           > F8 8E 2F DF 89 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000189DF305CF0, 16 bytes long.
 Data: <&#208;&#142;/&#223;&#137;           > D0 8E 2F DF 89 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000189DF305570, 16 bytes long.
 Data: <&#168;&#142;/&#223;&#137;           > A8 8E 2F DF 89 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000189DF300690, 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 0x00000189DF306150, 16 bytes long.
 Data: < &#142;/&#223;&#137;           > 80 8E 2F DF 89 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000189DF2F8E80, 320 bytes long.
 Data: <Pa0&#223;&#137;     0&#223;&#137;   > 50 61 30 DF 89 01 00 00 90 06 30 DF 89 01 00 00 
{276} normal block at 0x00000189DF306010, 16 bytes long.
 Data: < f0&#223;&#137;           > 80 66 30 DF 89 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000189DF3061F0, 16 bytes long.
 Data: <Xf0&#223;&#137;           > 58 66 30 DF 89 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000189DF3003F0, 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 0x00000189DF305610, 16 bytes long.
 Data: <0f0&#223;&#137;           > 30 66 30 DF 89 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000189DF300330, 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 0x00000189DF305C00, 16 bytes long.
 Data: <xe0&#223;&#137;           > 78 65 30 DF 89 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000189DF306100, 16 bytes long.
 Data: <Pe0&#223;&#137;           > 50 65 30 DF 89 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000189DF305E80, 16 bytes long.
 Data: <(e0&#223;&#137;           > 28 65 30 DF 89 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000189DF305980, 16 bytes long.
 Data: < e0&#223;&#137;           > 00 65 30 DF 89 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000189DF305ED0, 16 bytes long.
 Data: <&#216;d0&#223;&#137;           > D8 64 30 DF 89 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000189DF3057A0, 16 bytes long.
 Data: <&#176;d0&#223;&#137;           > B0 64 30 DF 89 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000189DF305F70, 16 bytes long.
 Data: < L0&#223;&#137;           > 00 4C 30 DF 89 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000189DF304C00, 40 bytes long.
 Data: <p_0&#223;&#137;   &#192;M&#247;&#224;&#137;   > 70 5F 30 DF 89 01 00 00 C0 4D F7 E0 89 01 00 00 
{262} normal block at 0x00000189DF305930, 16 bytes long.
 Data: < d0&#223;&#137;           > 90 64 30 DF 89 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000189DF305F20, 16 bytes long.
 Data: <hd0&#223;&#137;           > 68 64 30 DF 89 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000189DF3005D0, 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 0x00000189DF305750, 16 bytes long.
 Data: <@d0&#223;&#137;           > 40 64 30 DF 89 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000189DF306440, 992 bytes long.
 Data: <PW0&#223;&#137;   &#208; 0&#223;&#137;   > 50 57 30 DF 89 01 00 00 D0 05 30 DF 89 01 00 00 
{94} normal block at 0x00000189DF2FFFD0, 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 0x00000189DF2FE7D0, 16 bytes long.
 Data: <PM0&#223;&#137;           > 50 4D 30 DF 89 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000189DF304D50, 40 bytes long.
 Data: <&#208;&#231;/&#223;&#137;   &#208;&#255;/&#223;&#137;   > D0 E7 2F DF 89 01 00 00 D0 FF 2F DF 89 01 00 00 
{71} normal block at 0x00000189DF2FE780, 16 bytes long.
 Data: < &#234;&#164;&#197;&#247;           > 80 EA A4 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000189DF2FE910, 16 bytes long.
 Data: <@&#233;&#164;&#197;&#247;           > 40 E9 A4 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000189DF2FEE60, 16 bytes long.
 Data: <&#248;W&#161;&#197;&#247;           > F8 57 A1 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000189DF2FEB40, 16 bytes long.
 Data: <&#216;W&#161;&#197;&#247;           > D8 57 A1 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000189DF2FF040, 16 bytes long.
 Data: <P &#161;&#197;&#247;           > 50 04 A1 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000189DF2FE820, 16 bytes long.
 Data: <0 &#161;&#197;&#247;           > 30 04 A1 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000189DF2FEAF0, 16 bytes long.
 Data: <&#224; &#161;&#197;&#247;           > E0 02 A1 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000189DF2FED20, 16 bytes long.
 Data: <  &#161;&#197;&#247;           > 10 04 A1 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000189DF2FF360, 16 bytes long.
 Data: <p &#161;&#197;&#247;           > 70 04 A1 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000189DF2FE8C0, 16 bytes long.
 Data: < &#192;&#159;&#197;&#247;           > 18 C0 9F C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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