Task 38680246

Name test_361-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND9965_0
Workunit 31621975
Created 26 Oct 2026, 23:18:19 UTC
Sent 26 Oct 2026, 23:18:22 UTC
Report deadline 31 Oct 2026, 23:18:22 UTC
Received 26 Oct 2026, 23:45:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 646979
Run time 16 min 30 sec
CPU time 13 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 766.55 MB
Peak swap size 10.18 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:29:34 (3692): wrapper (7.9.26016): starting
08:29:34 (3692): 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
08:29:35 (3692): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:29:35 (3692): 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\22\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\22\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
08:45:23 (3692): C:/Windows/system32/cmd.exe exited; CPU time 831.265625
08:45:23 (3692): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 18965575 bytes.
Dumping objects ->
{3835586} normal block at 0x0000014C9063BF90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835575} normal block at 0x0000014C9063C2A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835564} normal block at 0x0000014C8E614C50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835553} normal block at 0x0000014C8E614A90, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835542} normal block at 0x0000014C8E614BE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835511} normal block at 0x0000014C90689FE0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835500} normal block at 0x0000014C9069CD00, 100 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) : {3835497} normal block at 0x0000014C8E60F350, 8 bytes long.
 Data: <  Z L   > 00 00 5A 8E 4C 01 00 00 
{3834771} normal block at 0x0000014C9069BB80, 100 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834061} normal block at 0x0000014C8E60E860, 8 bytes long.
 Data: < &#217;_ L   > F0 D9 5F 8E 4C 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000014C8E610630, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000014C8E605DF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000014C8E6161C0, 16 bytes long.
 Data: < Sa L           > F8 53 61 8E 4C 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000014C8E616170, 16 bytes long.
 Data: <&#208;Sa L           > D0 53 61 8E 4C 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000014C8E60CF80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000014C8E615BD0, 16 bytes long.
 Data: <&#168;Sa L           > A8 53 61 8E 4C 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000014C8E616440, 16 bytes long.
 Data: < Sa L           > 80 53 61 8E 4C 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000014C8E616030, 16 bytes long.
 Data: <XSa L           > 58 53 61 8E 4C 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000014C8E615FE0, 16 bytes long.
 Data: <0Sa L           > 30 53 61 8E 4C 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000014C8E6149B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000014C8E616210, 16 bytes long.
 Data: < &#183;_ L           > 88 B7 5F 8E 4C 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000014C8E60CEC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000014C8E616350, 16 bytes long.
 Data: <`&#183;_ L           > 60 B7 5F 8E 4C 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000014C8E615720, 16 bytes long.
 Data: <8&#183;_ L           > 38 B7 5F 8E 4C 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000014C8E615E00, 16 bytes long.
 Data: < &#183;_ L           > 10 B7 5F 8E 4C 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000014C8E6155E0, 16 bytes long.
 Data: < &#182;_ L           > E8 B6 5F 8E 4C 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000014C8E615630, 16 bytes long.
 Data: <&#192;&#182;_ L           > C0 B6 5F 8E 4C 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000014C8E615C70, 16 bytes long.
 Data: < &#182;_ L           > 98 B6 5F 8E 4C 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000014C8E60D340, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000014C8E616260, 16 bytes long.
 Data: <p&#182;_ L           > 70 B6 5F 8E 4C 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000014C8E5FB670, 320 bytes long.
 Data: <`ba L   @&#211;` L   > 60 62 61 8E 4C 01 00 00 40 D3 60 8E 4C 01 00 00 
{277} normal block at 0x0000014C8E615860, 16 bytes long.
 Data: < Sa L           > 10 53 61 8E 4C 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000014C8E616490, 16 bytes long.
 Data: < Ra L           > E8 52 61 8E 4C 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000014C8E60CC80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000014C8E6163F0, 16 bytes long.
 Data: <&#192;Ra L           > C0 52 61 8E 4C 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000014C8E60D460, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000014C8E615A90, 16 bytes long.
 Data: < Ra L           > 08 52 61 8E 4C 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000014C8E615F90, 16 bytes long.
 Data: < Qa L           > E0 51 61 8E 4C 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000014C8E616300, 16 bytes long.
 Data: <&#184;Qa L           > B8 51 61 8E 4C 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000014C8E6160D0, 16 bytes long.
 Data: < Qa L           > 90 51 61 8E 4C 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000014C8E615950, 16 bytes long.
 Data: <hQa L           > 68 51 61 8E 4C 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000014C8E60E7C0, 16 bytes long.
 Data: <@Qa L           > 40 51 61 8E 4C 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000014C8E60E720, 16 bytes long.
 Data: < Ka L           > 00 4B 61 8E 4C 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000014C8E614B00, 40 bytes long.
 Data: <  ` L     h L   > 20 E7 60 8E 4C 01 00 00 E0 9F 68 90 4C 01 00 00 
{263} normal block at 0x0000014C8E60ED10, 16 bytes long.
 Data: < Qa L           > 20 51 61 8E 4C 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000014C8E60F4E0, 16 bytes long.
 Data: < Pa L           > F8 50 61 8E 4C 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000014C8E60CBC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000014C8E60F490, 16 bytes long.
 Data: <&#208;Pa L           > D0 50 61 8E 4C 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000014C8E6150D0, 992 bytes long.
 Data: <  ` L   &#192;&#203;` L   > 90 F4 60 8E 4C 01 00 00 C0 CB 60 8E 4C 01 00 00 
{95} normal block at 0x0000014C8E60CE00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000014C8E60EC20, 16 bytes long.
 Data: <&#192; _ L           > C0 F0 5F 8E 4C 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000014C8E5FF0C0, 40 bytes long.
 Data: <  ` L    &#206;` L   > 20 EC 60 8E 4C 01 00 00 00 CE 60 8E 4C 01 00 00 
{70} normal block at 0x0000014C8E60F2B0, 16 bytes long.
 Data: <                > 80 EA E9 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000014C8E60EB80, 16 bytes long.
 Data: <@               > 40 E9 E9 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000014C8E60EA90, 16 bytes long.
 Data: < W              > F8 57 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000014C8E60F3A0, 16 bytes long.
 Data: <&#216;W              > D8 57 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000014C8E60EEF0, 16 bytes long.
 Data: <P               > 50 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000014C8E60EBD0, 16 bytes long.
 Data: <0               > 30 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000014C8E60F0D0, 16 bytes long.
 Data: <                > E0 02 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000014C8E60EB30, 16 bytes long.
 Data: <                > 10 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000014C8E60E680, 16 bytes long.
 Data: <p               > 70 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000014C8E60F210, 16 bytes long.
 Data: < &#192;              > 18 C0 E4 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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