Task 38688730

Name test_888-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND3442_0
Workunit 31630054
Created 28 Oct 2026, 15:49:10 UTC
Sent 28 Oct 2026, 15:49:14 UTC
Report deadline 2 Nov 2026, 15:49:14 UTC
Received 28 Oct 2026, 16:18:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641444
Run time 28 min 10 sec
CPU time 24 min 53 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 743.64 MB
Peak swap size 5.42 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:50:39 (15056): wrapper (7.9.26016): starting
16:50:39 (15056): 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
16:50:41 (15056): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:50:41 (15056): 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 'D:\Boinc\slots\13\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 'D:\Boinc\slots\13\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
17:17:33 (15056): C:/Windows/system32/cmd.exe exited; CPU time 1493.640625
17:17:33 (15056): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 32972723 bytes.
Dumping objects ->
{3835502} normal block at 0x00000191B4368C20, 48 bytes long.
 Data: <PATH=D:\Boinc\sl> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835491} normal block at 0x00000191B5F46AF0, 32 bytes long.
 Data: <HOME=D:\Boinc\sl> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835480} normal block at 0x00000191B5F46790, 32 bytes long.
 Data: <TMP=D:\Boinc\slo> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 6F 
{3835469} normal block at 0x00000191B5F466D0, 32 bytes long.
 Data: <TEMP=D:\Boinc\sl> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835458} normal block at 0x00000191B5F469D0, 32 bytes long.
 Data: <TMPDIR=D:\Boinc\> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5C 
{3835427} normal block at 0x00000191B4368BB0, 48 bytes long.
 Data: <PATH=D:\Boinc\sl> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835414} normal block at 0x00000191B433CB80, 8 bytes long.
 Data: <  g&#180;&#145;   > 00 00 67 B4 91 01 00 00 
{3833969} normal block at 0x00000191B433D4E0, 8 bytes long.
 Data: <&#224;&#189;6&#180;&#145;   > E0 BD 36 B4 91 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000191B4341AA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000191B4335830, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x00000191B4345410, 16 bytes long.
 Data: <&#232;b4&#180;&#145;           > E8 62 34 B4 91 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000191B4345C80, 16 bytes long.
 Data: <&#192;b4&#180;&#145;           > C0 62 34 B4 91 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000191B433EB00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x00000191B4345CD0, 16 bytes long.
 Data: < b4&#180;&#145;           > 98 62 34 B4 91 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000191B4345690, 16 bytes long.
 Data: <pb4&#180;&#145;           > 70 62 34 B4 91 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000191B43450A0, 16 bytes long.
 Data: <Hb4&#180;&#145;           > 48 62 34 B4 91 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000191B43453C0, 16 bytes long.
 Data: < b4&#180;&#145;           > 20 62 34 B4 91 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000191B433F450, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x00000191B4345F50, 16 bytes long.
 Data: <(&#246;2&#180;&#145;           > 28 F6 32 B4 91 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000191B433E860, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x00000191B4345960, 16 bytes long.
 Data: < &#246;2&#180;&#145;           > 00 F6 32 B4 91 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000191B4345320, 16 bytes long.
 Data: <&#216;&#245;2&#180;&#145;           > D8 F5 32 B4 91 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000191B43454B0, 16 bytes long.
 Data: <&#176;&#245;2&#180;&#145;           > B0 F5 32 B4 91 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000191B43450F0, 16 bytes long.
 Data: < &#245;2&#180;&#145;           > 88 F5 32 B4 91 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000191B4345D70, 16 bytes long.
 Data: <`&#245;2&#180;&#145;           > 60 F5 32 B4 91 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000191B4345A50, 16 bytes long.
 Data: <8&#245;2&#180;&#145;           > 38 F5 32 B4 91 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000191B433F040, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x00000191B4345500, 16 bytes long.
 Data: < &#245;2&#180;&#145;           > 10 F5 32 B4 91 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000191B432F510, 320 bytes long.
 Data: < U4&#180;&#145;   @&#240;3&#180;&#145;   > 00 55 34 B4 91 01 00 00 40 F0 33 B4 91 01 00 00 
{280} normal block at 0x00000191B4345AA0, 16 bytes long.
 Data: < b4&#180;&#145;           > 00 62 34 B4 91 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000191B4345730, 16 bytes long.
 Data: <&#216;a4&#180;&#145;           > D8 61 34 B4 91 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000191B433EE60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x00000191B4345910, 16 bytes long.
 Data: <&#176;a4&#180;&#145;           > B0 61 34 B4 91 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000191B433EAA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x00000191B4345A00, 16 bytes long.
 Data: <&#248;`4&#180;&#145;           > F8 60 34 B4 91 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000191B4345DC0, 16 bytes long.
 Data: <&#208;`4&#180;&#145;           > D0 60 34 B4 91 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000191B4345640, 16 bytes long.
 Data: <&#168;`4&#180;&#145;           > A8 60 34 B4 91 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000191B43452D0, 16 bytes long.
 Data: < `4&#180;&#145;           > 80 60 34 B4 91 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000191B4345000, 16 bytes long.
 Data: <X`4&#180;&#145;           > 58 60 34 B4 91 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000191B4345820, 16 bytes long.
 Data: <0`4&#180;&#145;           > 30 60 34 B4 91 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000191B4345280, 16 bytes long.
 Data: <P&#251;3&#180;&#145;           > 50 FB 33 B4 91 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000191B433FB50, 40 bytes long.
 Data: < R4&#180;&#145;   &#176;&#139;6&#180;&#145;   > 80 52 34 B4 91 01 00 00 B0 8B 36 B4 91 01 00 00 
{266} normal block at 0x00000191B43457D0, 16 bytes long.
 Data: < `4&#180;&#145;           > 10 60 34 B4 91 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000191B4345050, 16 bytes long.
 Data: <&#232;_4&#180;&#145;           > E8 5F 34 B4 91 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000191B433EFE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x00000191B4345370, 16 bytes long.
 Data: <&#192;_4&#180;&#145;           > C0 5F 34 B4 91 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000191B4345FC0, 992 bytes long.
 Data: <pS4&#180;&#145;   &#224;&#239;3&#180;&#145;   > 70 53 34 B4 91 01 00 00 E0 EF 33 B4 91 01 00 00 
{98} normal block at 0x00000191B433E740, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x00000191B433CBD0, 16 bytes long.
 Data: <&#224;&#250;3&#180;&#145;           > E0 FA 33 B4 91 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x00000191B433FAE0, 40 bytes long.
 Data: <&#208;&#203;3&#180;&#145;   @&#231;3&#180;&#145;   > D0 CB 33 B4 91 01 00 00 40 E7 33 B4 91 01 00 00 
{75} normal block at 0x00000191B433CA90, 16 bytes long.
 Data: < &#234;&#226;&#149;&#247;           > 80 EA E2 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000191B433D710, 16 bytes long.
 Data: <@&#233;&#226;&#149;&#247;           > 40 E9 E2 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000191B433D3A0, 16 bytes long.
 Data: <&#248;W&#223;&#149;&#247;           > F8 57 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000191B433D580, 16 bytes long.
 Data: <&#216;W&#223;&#149;&#247;           > D8 57 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000191B433CEF0, 16 bytes long.
 Data: <P &#223;&#149;&#247;           > 50 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000191B433D440, 16 bytes long.
 Data: <0 &#223;&#149;&#247;           > 30 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000191B433D0D0, 16 bytes long.
 Data: <&#224; &#223;&#149;&#247;           > E0 02 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000191B433D300, 16 bytes long.
 Data: <  &#223;&#149;&#247;           > 10 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000191B433D260, 16 bytes long.
 Data: <p &#223;&#149;&#247;           > 70 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000191B433D030, 16 bytes long.
 Data: < &#192;&#221;&#149;&#247;           > 18 C0 DD 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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