Task 38696643

Name test_381-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND4554_0
Workunit 31637264
Created 1 Nov 2026, 2:48:37 UTC
Sent 1 Nov 2026, 2:48:39 UTC
Report deadline 6 Nov 2026, 2:48:39 UTC
Received 1 Nov 2026, 3:13:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629599
Run time 22 min 52 sec
CPU time 20 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,502.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.69 MB
Peak swap size 5.41 GB
Peak disk usage 4.17 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:51:35 (244700): wrapper (7.9.26016): starting
03:51:35 (244700): 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
03:51:36 (244700): Library/usr/bin/tar.exe exited; CPU time 0.031250
03:51:36 (244700): 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
04:13:37 (244700): C:/Windows/system32/cmd.exe exited; CPU time 1237.203125
04:13:37 (244700): 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: 27085161 bytes.
Dumping objects ->
{3835594} normal block at 0x00000231C5D4DE10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835583} normal block at 0x00000231C5D4DA90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835572} normal block at 0x00000231C4165440, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835561} normal block at 0x00000231C4165360, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835550} normal block at 0x00000231C4164F70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835519} normal block at 0x00000231C5D95230, 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) : {3835506} normal block at 0x00000231C415DC60, 8 bytes long.
 Data: <  m&#196;1   > 00 00 6D C4 31 02 00 00 
{3833965} normal block at 0x00000231C415E2F0, 8 bytes long.
 Data: <@&#235;#&#196;1   > 40 EB 23 C4 31 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000231C4161990, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000231C4156FD0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x00000231C41660C0, 16 bytes long.
 Data: <Xn &#196;1           > 58 6E 16 C4 31 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000231C4166020, 16 bytes long.
 Data: <0n &#196;1           > 30 6E 16 C4 31 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000231C415F720, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x00000231C4165F80, 16 bytes long.
 Data: < n &#196;1           > 08 6E 16 C4 31 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000231C4165F30, 16 bytes long.
 Data: <&#224;m &#196;1           > E0 6D 16 C4 31 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000231C4166610, 16 bytes long.
 Data: <&#184;m &#196;1           > B8 6D 16 C4 31 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000231C4165DF0, 16 bytes long.
 Data: < m &#196;1           > 90 6D 16 C4 31 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000231C4165130, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x00000231C4166200, 16 bytes long.
 Data: <&#200;&#148; &#196;1           > C8 94 15 C4 31 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000231C4160260, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x00000231C4166A70, 16 bytes long.
 Data: <&#160;&#148; &#196;1           > A0 94 15 C4 31 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000231C4165FD0, 16 bytes long.
 Data: <x&#148; &#196;1           > 78 94 15 C4 31 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000231C4165DA0, 16 bytes long.
 Data: <P&#148; &#196;1           > 50 94 15 C4 31 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000231C4165BC0, 16 bytes long.
 Data: <(&#148; &#196;1           > 28 94 15 C4 31 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000231C41662A0, 16 bytes long.
 Data: < &#148; &#196;1           > 00 94 15 C4 31 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000231C41667F0, 16 bytes long.
 Data: <&#216;&#147; &#196;1           > D8 93 15 C4 31 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000231C415F8A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x00000231C4165E40, 16 bytes long.
 Data: <&#176;&#147; &#196;1           > B0 93 15 C4 31 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000231C41593B0, 320 bytes long.
 Data: <@^ &#196;1   &#160;&#248; &#196;1   > 40 5E 16 C4 31 02 00 00 A0 F8 15 C4 31 02 00 00 
{278} normal block at 0x00000231C41665C0, 16 bytes long.
 Data: <pm &#196;1           > 70 6D 16 C4 31 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000231C4166480, 16 bytes long.
 Data: <Hm &#196;1           > 48 6D 16 C4 31 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000231C4160080, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x00000231C4166070, 16 bytes long.
 Data: < m &#196;1           > 20 6D 16 C4 31 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000231C4160200, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x00000231C4166250, 16 bytes long.
 Data: <hl &#196;1           > 68 6C 16 C4 31 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000231C4165C10, 16 bytes long.
 Data: <@l &#196;1           > 40 6C 16 C4 31 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000231C4165CB0, 16 bytes long.
 Data: < l &#196;1           > 18 6C 16 C4 31 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000231C4166430, 16 bytes long.
 Data: <&#240;k &#196;1           > F0 6B 16 C4 31 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000231C41666B0, 16 bytes long.
 Data: <&#200;k &#196;1           > C8 6B 16 C4 31 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000231C4166A20, 16 bytes long.
 Data: <&#160;k &#196;1           > A0 6B 16 C4 31 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000231C4166890, 16 bytes long.
 Data: <PP &#196;1           > 50 50 16 C4 31 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000231C4165050, 40 bytes long.
 Data: < h &#196;1   0R&#217;&#197;1   > 90 68 16 C4 31 02 00 00 30 52 D9 C5 31 02 00 00 
{264} normal block at 0x00000231C4166930, 16 bytes long.
 Data: < k &#196;1           > 80 6B 16 C4 31 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000231C4165EE0, 16 bytes long.
 Data: <Xk &#196;1           > 58 6B 16 C4 31 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000231C4160380, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x00000231C4166390, 16 bytes long.
 Data: <0k &#196;1           > 30 6B 16 C4 31 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000231C4166B30, 992 bytes long.
 Data: < c &#196;1      &#196;1   > 90 63 16 C4 31 02 00 00 80 03 16 C4 31 02 00 00 
{96} normal block at 0x00000231C415FAE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x00000231C415D9E0, 16 bytes long.
 Data: <&#240;&#242; &#196;1           > F0 F2 14 C4 31 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000231C414F2F0, 40 bytes long.
 Data: <&#224;&#217; &#196;1   &#224;&#250; &#196;1   > E0 D9 15 C4 31 02 00 00 E0 FA 15 C4 31 02 00 00 
{73} normal block at 0x00000231C415DC10, 16 bytes long.
 Data: < &#234; &#147;&#247;           > 80 EA 01 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000231C415DDA0, 16 bytes long.
 Data: <@&#233; &#147;&#247;           > 40 E9 01 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000231C415D7B0, 16 bytes long.
 Data: <&#248;W&#254;&#146;&#247;           > F8 57 FE 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000231C415DE90, 16 bytes long.
 Data: <&#216;W&#254;&#146;&#247;           > D8 57 FE 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000231C415DB70, 16 bytes long.
 Data: <P &#254;&#146;&#247;           > 50 04 FE 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000231C415D850, 16 bytes long.
 Data: <0 &#254;&#146;&#247;           > 30 04 FE 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000231C415DD00, 16 bytes long.
 Data: <&#224; &#254;&#146;&#247;           > E0 02 FE 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000231C415D990, 16 bytes long.
 Data: <  &#254;&#146;&#247;           > 10 04 FE 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000231C415D8F0, 16 bytes long.
 Data: <p &#254;&#146;&#247;           > 70 04 FE 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000231C415D760, 16 bytes long.
 Data: < &#192;&#252;&#146;&#247;           > 18 C0 FC 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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