Task 38683826

Name test_487-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND0553_0
Workunit 31625369
Created 27 Oct 2026, 13:30:53 UTC
Sent 27 Oct 2026, 13:30:59 UTC
Report deadline 1 Nov 2026, 13:30:59 UTC
Received 27 Oct 2026, 14:45:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625863
Run time 24 min 34 sec
CPU time 23 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 58,064.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 749.51 MB
Peak swap size 13.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:21:03 (7344): wrapper (7.9.26016): starting
16:21:03 (7344): 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
16:21:04 (7344): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:21:04 (7344): 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\27\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\27\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
16:44:45 (7344): C:/Windows/system32/cmd.exe exited; CPU time 1397.859375
16:44:45 (7344): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 27844127 bytes.
Dumping objects ->
{3835575} normal block at 0x0000029424B3E580, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835564} normal block at 0x0000029424B3F070, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835553} normal block at 0x0000029424B3E900, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835542} normal block at 0x0000029424B3F000, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835531} normal block at 0x0000029422CE6410, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835500} normal block at 0x0000029424B89610, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835489} normal block at 0x0000029422D4B390, 140 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) : {3835486} normal block at 0x0000029422CDC040, 8 bytes long.
 Data: <   #&#148;   > 00 00 20 23 94 02 00 00 
{3834707} normal block at 0x0000029422D4B940, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833975} normal block at 0x0000029422CDB960, 8 bytes long.
 Data: < &#176;&#208;"&#148;   > 80 B0 D0 22 94 02 00 00 
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x0000029422CE2770, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000029422CD8050, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{303} normal block at 0x0000029422CE6AB0, 16 bytes long.
 Data: <H}&#206;"&#148;           > 48 7D CE 22 94 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000029422CE6D30, 16 bytes long.
 Data: < }&#206;"&#148;           > 20 7D CE 22 94 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000029422CE0200, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{300} normal block at 0x0000029422CE7280, 16 bytes long.
 Data: <&#248;|&#206;"&#148;           > F8 7C CE 22 94 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000029422CE6DD0, 16 bytes long.
 Data: <&#208;|&#206;"&#148;           > D0 7C CE 22 94 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000029422CE6F60, 16 bytes long.
 Data: <&#168;|&#206;"&#148;           > A8 7C CE 22 94 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000029422CE7820, 16 bytes long.
 Data: < |&#206;"&#148;           > 80 7C CE 22 94 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000029422CE6020, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{295} normal block at 0x0000029422CE6BA0, 16 bytes long.
 Data: <h &#205;"&#148;           > 68 0B CD 22 94 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000029422CDF7E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{293} normal block at 0x0000029422CE7320, 16 bytes long.
 Data: <@ &#205;"&#148;           > 40 0B CD 22 94 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000029422CE7190, 16 bytes long.
 Data: <  &#205;"&#148;           > 18 0B CD 22 94 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000029422CE6A60, 16 bytes long.
 Data: <&#240; &#205;"&#148;           > F0 0A CD 22 94 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000029422CE7140, 16 bytes long.
 Data: <&#200; &#205;"&#148;           > C8 0A CD 22 94 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000029422CE7690, 16 bytes long.
 Data: <&#160; &#205;"&#148;           > A0 0A CD 22 94 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000029422CE7780, 16 bytes long.
 Data: <x &#205;"&#148;           > 78 0A CD 22 94 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000029422CDF600, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{285} normal block at 0x0000029422CE6F10, 16 bytes long.
 Data: <P &#205;"&#148;           > 50 0A CD 22 94 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000029422CD0A50, 320 bytes long.
 Data: < o&#206;"&#148;    &#246;&#205;"&#148;   > 10 6F CE 22 94 02 00 00 00 F6 CD 22 94 02 00 00 
{283} normal block at 0x0000029422CE7000, 16 bytes long.
 Data: <`|&#206;"&#148;           > 60 7C CE 22 94 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000029422CE7550, 16 bytes long.
 Data: <8|&#206;"&#148;           > 38 7C CE 22 94 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000029422CDF6C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{280} normal block at 0x0000029422CE72D0, 16 bytes long.
 Data: < |&#206;"&#148;           > 10 7C CE 22 94 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000029422CE0260, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{278} normal block at 0x0000029422CE71E0, 16 bytes long.
 Data: <X{&#206;"&#148;           > 58 7B CE 22 94 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000029422CE7230, 16 bytes long.
 Data: <0{&#206;"&#148;           > 30 7B CE 22 94 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000029422CE6FB0, 16 bytes long.
 Data: < {&#206;"&#148;           > 08 7B CE 22 94 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000029422CE6D80, 16 bytes long.
 Data: <&#224;z&#206;"&#148;           > E0 7A CE 22 94 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000029422CE76E0, 16 bytes long.
 Data: <&#184;z&#206;"&#148;           > B8 7A CE 22 94 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000029422CE78C0, 16 bytes long.
 Data: < z&#206;"&#148;           > 90 7A CE 22 94 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000029422CE6EC0, 16 bytes long.
 Data: < `&#206;"&#148;           > 90 60 CE 22 94 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000029422CE6090, 40 bytes long.
 Data: <&#192;n&#206;"&#148;    &#150;&#184;$&#148;   > C0 6E CE 22 94 02 00 00 10 96 B8 24 94 02 00 00 
{269} normal block at 0x0000029422CE7640, 16 bytes long.
 Data: <pz&#206;"&#148;           > 70 7A CE 22 94 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000029422CE7500, 16 bytes long.
 Data: <Hz&#206;"&#148;           > 48 7A CE 22 94 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000029422CDF4E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{266} normal block at 0x0000029422CE70F0, 16 bytes long.
 Data: < z&#206;"&#148;           > 20 7A CE 22 94 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000029422CE7A20, 992 bytes long.
 Data: <&#240;p&#206;"&#148;   &#224;&#244;&#205;"&#148;   > F0 70 CE 22 94 02 00 00 E0 F4 CD 22 94 02 00 00 
{101} normal block at 0x0000029422CDF720, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{100} normal block at 0x0000029422CDB6E0, 16 bytes long.
 Data: <Pb&#206;"&#148;           > 50 62 CE 22 94 02 00 00 00 00 00 00 00 00 00 00 
{99} normal block at 0x0000029422CE6250, 40 bytes long.
 Data: <&#224;&#182;&#205;"&#148;    &#247;&#205;"&#148;   > E0 B6 CD 22 94 02 00 00 20 F7 CD 22 94 02 00 00 
{78} normal block at 0x0000029422CDBB90, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 13 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000029422CDBC30, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 13 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000029422CDBDC0, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000029422CDC0E0, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000029422CDB910, 16 bytes long.
 Data: <P   &#247;           > 50 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000029422CDB640, 16 bytes long.
 Data: <0   &#247;           > 30 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000029422CDB500, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000029422CDB690, 16 bytes long.
 Data: <    &#247;           > 10 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000029422CDBFA0, 16 bytes long.
 Data: <p   &#247;           > 70 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000029422CDBFF0, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 0E 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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