Task 38685790

Name test_826-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND5332_0
Workunit 31627247
Created 27 Oct 2026, 22:56:42 UTC
Sent 27 Oct 2026, 22:56:52 UTC
Report deadline 1 Nov 2026, 22:56:52 UTC
Received 28 Oct 2026, 0:41:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653191
Run time 24 min 26 sec
CPU time 22 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 700.53 MB
Peak swap size 6.93 GB
Peak disk usage 3.72 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:17:20 (3148): wrapper (7.9.26016): starting
01:17:20 (3148): 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
01:17:21 (3148): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:17:21 (3148): 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\4\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\4\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
01:40:40 (3148): C:/Windows/system32/cmd.exe exited; CPU time 1370.390625
01:40:40 (3148): 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: 23178687 bytes.
Dumping objects ->
{3835601} normal block at 0x000001E67D125650, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835590} normal block at 0x000001E67D125420, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835579} normal block at 0x000001E67D125F10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835568} normal block at 0x000001E67D125B90, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835557} normal block at 0x000001E67B4A5BB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835526} normal block at 0x000001E67D0C50F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835515} normal block at 0x000001E67D0DF1B0, 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) : {3835512} normal block at 0x000001E67B49FC20, 8 bytes long.
 Data: <  @{&#230;   > 00 00 40 7B E6 01 00 00 
{3834713} normal block at 0x000001E67D0DFAA0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001E67B49F6D0, 8 bytes long.
 Data: < OJ{&#230;   > 90 4F 4A 7B E6 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001E67B4A2000, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001E67B4971D0, 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 0x000001E67B4A6490, 16 bytes long.
 Data: <&#216;sJ{&#230;           > D8 73 4A 7B E6 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E67B4A6300, 16 bytes long.
 Data: <&#176;sJ{&#230;           > B0 73 4A 7B E6 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E67B4A0710, 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 0x000001E67B4A66C0, 16 bytes long.
 Data: < sJ{&#230;           > 88 73 4A 7B E6 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E67B4A6120, 16 bytes long.
 Data: <`sJ{&#230;           > 60 73 4A 7B E6 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E67B4A6DF0, 16 bytes long.
 Data: <8sJ{&#230;           > 38 73 4A 7B E6 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E67B4A69E0, 16 bytes long.
 Data: < sJ{&#230;           > 10 73 4A 7B E6 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E67B4A5C90, 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 0x000001E67B4A6940, 16 bytes long.
 Data: <X&#240;I{&#230;           > 58 F0 49 7B E6 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E67B4A09B0, 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 0x000001E67B4A5F40, 16 bytes long.
 Data: <0&#240;I{&#230;           > 30 F0 49 7B E6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E67B4A6DA0, 16 bytes long.
 Data: < &#240;I{&#230;           > 08 F0 49 7B E6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E67B4A63F0, 16 bytes long.
 Data: <&#224;&#239;I{&#230;           > E0 EF 49 7B E6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E67B4A6620, 16 bytes long.
 Data: <&#184;&#239;I{&#230;           > B8 EF 49 7B E6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E67B4A65D0, 16 bytes long.
 Data: < &#239;I{&#230;           > 90 EF 49 7B E6 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E67B4A6E90, 16 bytes long.
 Data: <h&#239;I{&#230;           > 68 EF 49 7B E6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E67B4A07D0, 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 0x000001E67B4A67B0, 16 bytes long.
 Data: <@&#239;I{&#230;           > 40 EF 49 7B E6 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E67B49EF40, 320 bytes long.
 Data: <&#176;gJ{&#230;   &#208; J{&#230;   > B0 67 4A 7B E6 01 00 00 D0 07 4A 7B E6 01 00 00 
{276} normal block at 0x000001E67B4A6E40, 16 bytes long.
 Data: <&#240;rJ{&#230;           > F0 72 4A 7B E6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E67B4A6990, 16 bytes long.
 Data: <&#200;rJ{&#230;           > C8 72 4A 7B E6 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E67B4A0AD0, 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 0x000001E67B4A6C10, 16 bytes long.
 Data: <&#160;rJ{&#230;           > A0 72 4A 7B E6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E67B4A0FB0, 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 0x000001E67B4A68F0, 16 bytes long.
 Data: <&#232;qJ{&#230;           > E8 71 4A 7B E6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E67B4A6210, 16 bytes long.
 Data: <&#192;qJ{&#230;           > C0 71 4A 7B E6 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E67B4A60D0, 16 bytes long.
 Data: < qJ{&#230;           > 98 71 4A 7B E6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E67B4A6D50, 16 bytes long.
 Data: <pqJ{&#230;           > 70 71 4A 7B E6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E67B4A61C0, 16 bytes long.
 Data: <HqJ{&#230;           > 48 71 4A 7B E6 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E67B4A6080, 16 bytes long.
 Data: < qJ{&#230;           > 20 71 4A 7B E6 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E67B4A63A0, 16 bytes long.
 Data: < ]J{&#230;           > 00 5D 4A 7B E6 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E67B4A5D00, 40 bytes long.
 Data: <&#160;cJ{&#230;   &#240;P }&#230;   > A0 63 4A 7B E6 01 00 00 F0 50 0C 7D E6 01 00 00 
{262} normal block at 0x000001E67B4A6B70, 16 bytes long.
 Data: < qJ{&#230;           > 00 71 4A 7B E6 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E67B4A6B20, 16 bytes long.
 Data: <&#216;pJ{&#230;           > D8 70 4A 7B E6 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E67B4A03B0, 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 0x000001E67B4A6D00, 16 bytes long.
 Data: <&#176;pJ{&#230;           > B0 70 4A 7B E6 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E67B4A70B0, 992 bytes long.
 Data: < mJ{&#230;   &#176; J{&#230;   > 00 6D 4A 7B E6 01 00 00 B0 03 4A 7B E6 01 00 00 
{94} normal block at 0x000001E67B4A0F50, 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 0x000001E67B49F630, 16 bytes long.
 Data: <&#192;WJ{&#230;           > C0 57 4A 7B E6 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001E67B4A57C0, 40 bytes long.
 Data: <0&#246;I{&#230;   P J{&#230;   > 30 F6 49 7B E6 01 00 00 50 0F 4A 7B E6 01 00 00 
{71} normal block at 0x000001E67B49FA40, 16 bytes long.
 Data: < &#234;z &#246;           > 80 EA 7A 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001E67B49F9F0, 16 bytes long.
 Data: <@&#233;z &#246;           > 40 E9 7A 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E67B49F590, 16 bytes long.
 Data: <&#248;Ww &#246;           > F8 57 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E67B49FEA0, 16 bytes long.
 Data: <&#216;Ww &#246;           > D8 57 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E67B49FD60, 16 bytes long.
 Data: <P w &#246;           > 50 04 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E67B49F950, 16 bytes long.
 Data: <0 w &#246;           > 30 04 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E67B49F810, 16 bytes long.
 Data: <&#224; w &#246;           > E0 02 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E67B49F540, 16 bytes long.
 Data: <  w &#246;           > 10 04 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E67B49F220, 16 bytes long.
 Data: <p w &#246;           > 70 04 77 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E67B49F9A0, 16 bytes long.
 Data: < &#192;u &#246;           > 18 C0 75 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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