Task 38684735

Name test_518-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND8382_0
Workunit 31626240
Created 27 Oct 2026, 17:44:19 UTC
Sent 27 Oct 2026, 17:44:24 UTC
Report deadline 1 Nov 2026, 17:44:24 UTC
Received 27 Oct 2026, 18:17:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641444
Run time 28 min 14 sec
CPU time 24 min 57 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 739.22 MB
Peak swap size 5.43 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:50:12 (44888): wrapper (7.9.26016): starting
18:50:12 (44888): 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
18:50:14 (44888): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:50:14 (44888): 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\2\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\2\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
19:17:10 (44888): C:/Windows/system32/cmd.exe exited; CPU time 1497.500000
19:17:10 (44888): 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: 33319041 bytes.
Dumping objects ->
{3835502} normal block at 0x0000016878048A50, 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 0x0000016879C666C0, 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 0x0000016879C66C60, 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 0x0000016879C667E0, 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 0x0000016879C66A20, 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 0x0000016878048270, 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 0x000001687801CDB0, 8 bytes long.
 Data: <  Yxh   > 00 00 59 78 68 01 00 00 
{3833969} normal block at 0x000001687801D8F0, 8 bytes long.
 Data: <PG xh   > 50 47 02 78 68 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000016878021BE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000016878015A70, 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 0x0000016878025250, 16 bytes long.
 Data: <8` xh           > 38 60 02 78 68 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000016878025110, 16 bytes long.
 Data: < ` xh           > 10 60 02 78 68 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001687801EAA0, 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 0x0000016878025B60, 16 bytes long.
 Data: <&#232;_ xh           > E8 5F 02 78 68 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000016878025160, 16 bytes long.
 Data: <&#192;_ xh           > C0 5F 02 78 68 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000168780252F0, 16 bytes long.
 Data: < _ xh           > 98 5F 02 78 68 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000016878025A70, 16 bytes long.
 Data: <p_ xh           > 70 5F 02 78 68 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001687801F840, 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 0x00000168780253E0, 16 bytes long.
 Data: <h&#184; xh           > 68 B8 00 78 68 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001687801E860, 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 0x00000168780257F0, 16 bytes long.
 Data: <@&#184; xh           > 40 B8 00 78 68 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000016878025700, 16 bytes long.
 Data: < &#184; xh           > 18 B8 00 78 68 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000016878025980, 16 bytes long.
 Data: <&#240;&#183; xh           > F0 B7 00 78 68 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000168780257A0, 16 bytes long.
 Data: <&#200;&#183; xh           > C8 B7 00 78 68 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000016878025930, 16 bytes long.
 Data: <&#160;&#183; xh           > A0 B7 00 78 68 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000168780252A0, 16 bytes long.
 Data: <x&#183; xh           > 78 B7 00 78 68 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001687801E4A0, 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 0x00000168780256B0, 16 bytes long.
 Data: <P&#183; xh           > 50 B7 00 78 68 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001687800B750, 320 bytes long.
 Data: <&#176;V xh   &#160;&#228; xh   > B0 56 02 78 68 01 00 00 A0 E4 01 78 68 01 00 00 
{280} normal block at 0x0000016878025660, 16 bytes long.
 Data: <P_ xh           > 50 5F 02 78 68 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000016878025610, 16 bytes long.
 Data: <(_ xh           > 28 5F 02 78 68 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001687801F220, 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 0x0000016878025A20, 16 bytes long.
 Data: < _ xh           > 00 5F 02 78 68 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001687801EA40, 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 0x0000016878025840, 16 bytes long.
 Data: <H^ xh           > 48 5E 02 78 68 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000016878025CA0, 16 bytes long.
 Data: < ^ xh           > 20 5E 02 78 68 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000016878025AC0, 16 bytes long.
 Data: <&#248;] xh           > F8 5D 02 78 68 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000168780258E0, 16 bytes long.
 Data: <&#208;] xh           > D0 5D 02 78 68 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000016878025750, 16 bytes long.
 Data: <&#168;] xh           > A8 5D 02 78 68 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000016878025890, 16 bytes long.
 Data: < ] xh           > 80 5D 02 78 68 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000016878024DA0, 16 bytes long.
 Data: <&#208;&#247; xh           > D0 F7 01 78 68 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001687801F7D0, 40 bytes long.
 Data: <&#160;M xh   p&#130; xh   > A0 4D 02 78 68 01 00 00 70 82 04 78 68 01 00 00 
{266} normal block at 0x00000168780255C0, 16 bytes long.
 Data: <`] xh           > 60 5D 02 78 68 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000016878025570, 16 bytes long.
 Data: <8] xh           > 38 5D 02 78 68 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001687801F280, 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 0x00000168780259D0, 16 bytes long.
 Data: < ] xh           > 10 5D 02 78 68 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000016878025D10, 992 bytes long.
 Data: <&#208;Y xh    &#242; xh   > D0 59 02 78 68 01 00 00 80 F2 01 78 68 01 00 00 
{98} normal block at 0x000001687801EC80, 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 0x000001687801D940, 16 bytes long.
 Data: <&#240;&#246; xh           > F0 F6 01 78 68 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000001687801F6F0, 40 bytes long.
 Data: <@&#217; xh    &#236; xh   > 40 D9 01 78 68 01 00 00 80 EC 01 78 68 01 00 00 
{75} normal block at 0x000001687801D850, 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 0x000001687801D170, 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 0x000001687801D4E0, 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 0x000001687801D1C0, 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 0x000001687801CB80, 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 0x000001687801D260, 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 0x000001687801CF40, 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 0x000001687801D440, 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 0x000001687801CD10, 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 0x000001687801D3F0, 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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