Task 38699580

Name test_198-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND6154_0
Workunit 31639969
Created 4 Nov 2026, 18:09:50 UTC
Sent 4 Nov 2026, 18:09:56 UTC
Report deadline 9 Nov 2026, 18:09:56 UTC
Received 6 Nov 2026, 11:48:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 655011
Run time 1 hours 18 min 43 sec
CPU time 1 hours 12 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,990.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 642.77 MB
Peak swap size 2.32 GB
Peak disk usage 4.10 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:31:23 (5796): wrapper (7.9.26016): starting
11:31:23 (5796): 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
11:31:25 (5796): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:31:25 (5796): 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
12:47:20 (5796): C:/Windows/system32/cmd.exe exited; CPU time 4337.875000
12:47:20 (5796): 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: 52082407 bytes.
Dumping objects ->
{3835177} normal block at 0x000001318DB17AF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835166} normal block at 0x000001318DB16C10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835155} normal block at 0x000001318C0603A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835144} normal block at 0x000001318C060790, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x000001318C060640, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835102} normal block at 0x000001318DA7B340, 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) : {3835089} normal block at 0x000001318C056F80, 8 bytes long.
 Data: <  &#251;&#139;1   > 00 00 FB 8B 31 01 00 00 
{3833945} normal block at 0x000001318C056A80, 8 bytes long.
 Data: <&#160;_&#177;&#141;1   > A0 5F B1 8D 31 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001318C060CA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001318C045950, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000001318C062370, 16 bytes long.
 Data: <&#216;2 &#140;1           > D8 32 06 8C 31 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001318C062230, 16 bytes long.
 Data: <&#176;2 &#140;1           > B0 32 06 8C 31 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001318C05C6F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000001318C062A00, 16 bytes long.
 Data: < 2 &#140;1           > 88 32 06 8C 31 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001318C062690, 16 bytes long.
 Data: <`2 &#140;1           > 60 32 06 8C 31 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001318C0625A0, 16 bytes long.
 Data: <82 &#140;1           > 38 32 06 8C 31 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001318C061EC0, 16 bytes long.
 Data: < 2 &#140;1           > 10 32 06 8C 31 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001318C060800, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000001318C061FB0, 16 bytes long.
 Data: <h&#173; &#140;1           > 68 AD 04 8C 31 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001318C05C330, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000001318C062410, 16 bytes long.
 Data: <@&#173; &#140;1           > 40 AD 04 8C 31 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001318C061D30, 16 bytes long.
 Data: < &#173; &#140;1           > 18 AD 04 8C 31 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001318C061BF0, 16 bytes long.
 Data: <&#240;&#172; &#140;1           > F0 AC 04 8C 31 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001318C062AF0, 16 bytes long.
 Data: <&#200;&#172; &#140;1           > C8 AC 04 8C 31 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001318C062050, 16 bytes long.
 Data: <&#160;&#172; &#140;1           > A0 AC 04 8C 31 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001318C062320, 16 bytes long.
 Data: <x&#172; &#140;1           > 78 AC 04 8C 31 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001318C05CB70, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000001318C061C40, 16 bytes long.
 Data: <P&#172; &#140;1           > 50 AC 04 8C 31 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001318C04AC50, 320 bytes long.
 Data: <@  &#140;1   p&#203; &#140;1   > 40 1C 06 8C 31 01 00 00 70 CB 05 8C 31 01 00 00 
{268} normal block at 0x000001318C0629B0, 16 bytes long.
 Data: <&#240;1 &#140;1           > F0 31 06 8C 31 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001318C062140, 16 bytes long.
 Data: <&#200;1 &#140;1           > C8 31 06 8C 31 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001318C05C870, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000001318C062960, 16 bytes long.
 Data: <&#160;1 &#140;1           > A0 31 06 8C 31 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001318C05C210, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000001318C062910, 16 bytes long.
 Data: <&#232;0 &#140;1           > E8 30 06 8C 31 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001318C0628C0, 16 bytes long.
 Data: <&#192;0 &#140;1           > C0 30 06 8C 31 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001318C062000, 16 bytes long.
 Data: < 0 &#140;1           > 98 30 06 8C 31 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001318C062550, 16 bytes long.
 Data: <p0 &#140;1           > 70 30 06 8C 31 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001318C062870, 16 bytes long.
 Data: <H0 &#140;1           > 48 30 06 8C 31 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001318C0621E0, 16 bytes long.
 Data: < 0 &#140;1           > 20 30 06 8C 31 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001318C0622D0, 16 bytes long.
 Data: <&#224;  &#140;1           > E0 08 06 8C 31 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001318C0608E0, 40 bytes long.
 Data: <&#208;" &#140;1   @&#179;&#167;&#141;1   > D0 22 06 8C 31 01 00 00 40 B3 A7 8D 31 01 00 00 
{254} normal block at 0x000001318C062B40, 16 bytes long.
 Data: < 0 &#140;1           > 00 30 06 8C 31 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001318C062820, 16 bytes long.
 Data: <&#216;/ &#140;1           > D8 2F 06 8C 31 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001318C05C030, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000001318C0620F0, 16 bytes long.
 Data: <&#176;/ &#140;1           > B0 2F 06 8C 31 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001318C062FB0, 992 bytes long.
 Data: <&#240;  &#140;1   0&#192; &#140;1   > F0 20 06 8C 31 01 00 00 30 C0 05 8C 31 01 00 00 
{86} normal block at 0x000001318C05C990, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000001318C056670, 16 bytes long.
 Data: <   &#140;1           > 80 04 06 8C 31 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001318C060480, 40 bytes long.
 Data: <pf &#140;1    &#201; &#140;1   > 70 66 05 8C 31 01 00 00 90 C9 05 8C 31 01 00 00 
{63} normal block at 0x000001318C056760, 16 bytes long.
 Data: < &#234;&#214;.&#247;           > 80 EA D6 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001318C0569E0, 16 bytes long.
 Data: <@&#233;&#214;.&#247;           > 40 E9 D6 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001318C056F30, 16 bytes long.
 Data: <&#248;W&#211;.&#247;           > F8 57 D3 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001318C0568A0, 16 bytes long.
 Data: <&#216;W&#211;.&#247;           > D8 57 D3 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001318C056E90, 16 bytes long.
 Data: <P &#211;.&#247;           > 50 04 D3 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001318C056710, 16 bytes long.
 Data: <0 &#211;.&#247;           > 30 04 D3 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001318C056300, 16 bytes long.
 Data: <&#224; &#211;.&#247;           > E0 02 D3 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001318C0565D0, 16 bytes long.
 Data: <  &#211;.&#247;           > 10 04 D3 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001318C056990, 16 bytes long.
 Data: <p &#211;.&#247;           > 70 04 D3 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001318C056C10, 16 bytes long.
 Data: < &#192;&#209;.&#247;           > 18 C0 D1 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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