Task 38685783

Name test_301-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND0594_1
Workunit 31611514
Created 27 Oct 2026, 22:53:55 UTC
Sent 27 Oct 2026, 22:54:01 UTC
Report deadline 1 Nov 2026, 22:54:01 UTC
Received 27 Oct 2026, 23:09:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 626084
Run time 13 min 26 sec
CPU time 11 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 738.91 MB
Peak swap size 13.14 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:54:52 (16584): wrapper (7.9.26016): starting
23:54:52 (16584): 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
23:54:53 (16584): Library/usr/bin/tar.exe exited; CPU time 0.015625
23:54:53 (16584): 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
00:07:43 (16584): C:/Windows/system32/cmd.exe exited; CPU time 702.421875
00:07:43 (16584): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 10650261 bytes.
Dumping objects ->
{3835237} normal block at 0x000001AA7D23D6C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x000001AA7D23DD50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x000001AA7D23D340, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835204} normal block at 0x000001AA7D23DCE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835193} normal block at 0x000001AA7B5C4E70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835162} normal block at 0x000001AA7D28B800, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835151} normal block at 0x000001AA7D29EEC0, 102 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) : {3835148} normal block at 0x000001AA7B5BD320, 8 bytes long.
 Data: <  T{&#170;   > 00 00 54 7B AA 01 00 00 
{3834544} normal block at 0x000001AA7D29EC00, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000001AA7B5BE180, 8 bytes long.
 Data: <@&#228;i{&#170;   > 40 E4 69 7B AA 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001AA7B5C0E10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001AA7B5B6480, 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 0x000001AA7B5C64A0, 16 bytes long.
 Data: <xi\{&#170;           > 78 69 5C 7B AA 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001AA7B5C6180, 16 bytes long.
 Data: <Pi\{&#170;           > 50 69 5C 7B AA 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001AA7B5BF6A0, 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 0x000001AA7B5C5780, 16 bytes long.
 Data: <(i\{&#170;           > 28 69 5C 7B AA 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001AA7B5C5DC0, 16 bytes long.
 Data: < i\{&#170;           > 00 69 5C 7B AA 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001AA7B5C5960, 16 bytes long.
 Data: <&#216;h\{&#170;           > D8 68 5C 7B AA 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001AA7B5C5AF0, 16 bytes long.
 Data: <&#176;h\{&#170;           > B0 68 5C 7B AA 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001AA7B5C4CB0, 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 0x000001AA7B5C6400, 16 bytes long.
 Data: <&#168;&#241;Z{&#170;           > A8 F1 5A 7B AA 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001AA7B5BFA00, 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 0x000001AA7B5C6130, 16 bytes long.
 Data: < &#241;Z{&#170;           > 80 F1 5A 7B AA 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001AA7B5C60E0, 16 bytes long.
 Data: <X&#241;Z{&#170;           > 58 F1 5A 7B AA 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001AA7B5C6040, 16 bytes long.
 Data: <0&#241;Z{&#170;           > 30 F1 5A 7B AA 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001AA7B5C5FA0, 16 bytes long.
 Data: < &#241;Z{&#170;           > 08 F1 5A 7B AA 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001AA7B5C5F50, 16 bytes long.
 Data: <&#224;&#240;Z{&#170;           > E0 F0 5A 7B AA 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001AA7B5C5BE0, 16 bytes long.
 Data: <&#184;&#240;Z{&#170;           > B8 F0 5A 7B AA 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001AA7B5BF7C0, 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 0x000001AA7B5C6090, 16 bytes long.
 Data: < &#240;Z{&#170;           > 90 F0 5A 7B AA 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001AA7B5AF090, 320 bytes long.
 Data: < `\{&#170;   &#192;&#247;[{&#170;   > 90 60 5C 7B AA 01 00 00 C0 F7 5B 7B AA 01 00 00 
{277} normal block at 0x000001AA7B5C5F00, 16 bytes long.
 Data: < h\{&#170;           > 90 68 5C 7B AA 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001AA7B5C64F0, 16 bytes long.
 Data: <hh\{&#170;           > 68 68 5C 7B AA 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001AA7B5BEF20, 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 0x000001AA7B5C5AA0, 16 bytes long.
 Data: <@h\{&#170;           > 40 68 5C 7B AA 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001AA7B5BF400, 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 0x000001AA7B5C5A50, 16 bytes long.
 Data: < g\{&#170;           > 88 67 5C 7B AA 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001AA7B5C5EB0, 16 bytes long.
 Data: <`g\{&#170;           > 60 67 5C 7B AA 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001AA7B5C6450, 16 bytes long.
 Data: <8g\{&#170;           > 38 67 5C 7B AA 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001AA7B5C5910, 16 bytes long.
 Data: < g\{&#170;           > 10 67 5C 7B AA 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001AA7B5C5A00, 16 bytes long.
 Data: <&#232;f\{&#170;           > E8 66 5C 7B AA 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001AA7B5C5E10, 16 bytes long.
 Data: <&#192;f\{&#170;           > C0 66 5C 7B AA 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001AA7B5C5E60, 16 bytes long.
 Data: <PH\{&#170;           > 50 48 5C 7B AA 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001AA7B5C4850, 40 bytes long.
 Data: <`^\{&#170;    &#184;(}&#170;   > 60 5E 5C 7B AA 01 00 00 00 B8 28 7D AA 01 00 00 
{263} normal block at 0x000001AA7B5C5C80, 16 bytes long.
 Data: <&#160;f\{&#170;           > A0 66 5C 7B AA 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001AA7B5C58C0, 16 bytes long.
 Data: <xf\{&#170;           > 78 66 5C 7B AA 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001AA7B5BF940, 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 0x000001AA7B5C5820, 16 bytes long.
 Data: <Pf\{&#170;           > 50 66 5C 7B AA 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001AA7B5C6650, 992 bytes long.
 Data: < X\{&#170;   @&#249;[{&#170;   > 20 58 5C 7B AA 01 00 00 40 F9 5B 7B AA 01 00 00 
{95} normal block at 0x000001AA7B5BF9A0, 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 0x000001AA7B5BD410, 16 bytes long.
 Data: < N\{&#170;           > 00 4E 5C 7B AA 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001AA7B5C4E00, 40 bytes long.
 Data: < &#212;[{&#170;   &#160;&#249;[{&#170;   > 10 D4 5B 7B AA 01 00 00 A0 F9 5B 7B AA 01 00 00 
{72} normal block at 0x000001AA7B5BDA00, 16 bytes long.
 Data: < &#234;&#201;{&#247;           > 80 EA C9 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001AA7B5BE270, 16 bytes long.
 Data: <@&#233;&#201;{&#247;           > 40 E9 C9 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001AA7B5BD9B0, 16 bytes long.
 Data: <&#248;W&#198;{&#247;           > F8 57 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001AA7B5BDB90, 16 bytes long.
 Data: <&#216;W&#198;{&#247;           > D8 57 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001AA7B5BD960, 16 bytes long.
 Data: <P &#198;{&#247;           > 50 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001AA7B5BD4B0, 16 bytes long.
 Data: <0 &#198;{&#247;           > 30 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001AA7B5BD460, 16 bytes long.
 Data: <&#224; &#198;{&#247;           > E0 02 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001AA7B5BDEB0, 16 bytes long.
 Data: <  &#198;{&#247;           > 10 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001AA7B5BDF50, 16 bytes long.
 Data: <p &#198;{&#247;           > 70 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001AA7B5BE220, 16 bytes long.
 Data: < &#192;&#196;{&#247;           > 18 C0 C4 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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