Task 38688061

Name test_887-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND6111_0
Workunit 31629430
Created 28 Oct 2026, 11:23:36 UTC
Sent 28 Oct 2026, 11:23:41 UTC
Report deadline 2 Nov 2026, 11:23:41 UTC
Received 28 Oct 2026, 12:35:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638061
Run time 34 min 51 sec
CPU time 33 min 16 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 747.90 MB
Peak swap size 12.90 GB
Peak disk usage 3.74 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:01:06 (22836): wrapper (7.9.26016): starting
07:01:06 (22836): 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
07:01:07 (22836): Library/usr/bin/tar.exe exited; CPU time 0.015625
07:01:07 (22836): 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\6\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\6\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
07:34:50 (22836): C:/Windows/system32/cmd.exe exited; CPU time 1996.156250
07:34:50 (22836): 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: 31639497 bytes.
Dumping objects ->
{3835227} normal block at 0x00000276ABD04570, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835216} normal block at 0x00000276ABD04260, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x00000276ABD04110, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835194} normal block at 0x00000276ABD040A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x00000276ABD04420, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835152} normal block at 0x00000276ADB4A8B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835141} normal block at 0x00000276ADB5EC00, 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) : {3835138} normal block at 0x00000276ABCFEA20, 8 bytes long.
 Data: <  <&#172;v   > 00 00 3C AC 76 02 00 00 
{3834536} normal block at 0x00000276ADB5E5D0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x00000276ABCFE250, 8 bytes long.
 Data: <PK&#189;&#173;v   > 50 4B BD AD 76 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000276ABD003F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000276ABCEEC40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x00000276ABD05600, 16 bytes long.
 Data: < b&#208;&#171;v           > 08 62 D0 AB 76 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000276ABD05470, 16 bytes long.
 Data: <&#224;a&#208;&#171;v           > E0 61 D0 AB 76 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000276ABCFF180, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x00000276ABD05420, 16 bytes long.
 Data: <&#184;a&#208;&#171;v           > B8 61 D0 AB 76 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000276ABD053D0, 16 bytes long.
 Data: < a&#208;&#171;v           > 90 61 D0 AB 76 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000276ABD05380, 16 bytes long.
 Data: <ha&#208;&#171;v           > 68 61 D0 AB 76 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000276ABD05D30, 16 bytes long.
 Data: <@a&#208;&#171;v           > 40 61 D0 AB 76 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000276ABD041F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x00000276ABD05B50, 16 bytes long.
 Data: <&#248;&#180;&#206;&#171;v           > F8 B4 CE AB 76 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000276ABCFFC00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x00000276ABD05330, 16 bytes long.
 Data: <&#208;&#180;&#206;&#171;v           > D0 B4 CE AB 76 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000276ABD05D80, 16 bytes long.
 Data: <&#168;&#180;&#206;&#171;v           > A8 B4 CE AB 76 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000276ABD05650, 16 bytes long.
 Data: < &#180;&#206;&#171;v           > 80 B4 CE AB 76 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000276ABD050B0, 16 bytes long.
 Data: <X&#180;&#206;&#171;v           > 58 B4 CE AB 76 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000276ABD04F70, 16 bytes long.
 Data: <0&#180;&#206;&#171;v           > 30 B4 CE AB 76 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000276ABD056A0, 16 bytes long.
 Data: < &#180;&#206;&#171;v           > 08 B4 CE AB 76 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000276ABCFF000, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x00000276ABD05830, 16 bytes long.
 Data: <&#224;&#179;&#206;&#171;v           > E0 B3 CE AB 76 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000276ABCEB3E0, 320 bytes long.
 Data: <0X&#208;&#171;v    &#240;&#207;&#171;v   > 30 58 D0 AB 76 02 00 00 00 F0 CF AB 76 02 00 00 
{273} normal block at 0x00000276ABD057E0, 16 bytes long.
 Data: < a&#208;&#171;v           > 20 61 D0 AB 76 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000276ABD055B0, 16 bytes long.
 Data: <&#248;`&#208;&#171;v           > F8 60 D0 AB 76 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000276ABCFF300, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x00000276ABD051F0, 16 bytes long.
 Data: <&#208;`&#208;&#171;v           > D0 60 D0 AB 76 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000276ABCFF360, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x00000276ABD052E0, 16 bytes long.
 Data: < `&#208;&#171;v           > 18 60 D0 AB 76 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000276ABD05240, 16 bytes long.
 Data: <&#240;_&#208;&#171;v           > F0 5F D0 AB 76 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000276ABD05C40, 16 bytes long.
 Data: <&#200;_&#208;&#171;v           > C8 5F D0 AB 76 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000276ABD05290, 16 bytes long.
 Data: <&#160;_&#208;&#171;v           > A0 5F D0 AB 76 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000276ABD05B00, 16 bytes long.
 Data: <x_&#208;&#171;v           > 78 5F D0 AB 76 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000276ABD05150, 16 bytes long.
 Data: <P_&#208;&#171;v           > 50 5F D0 AB 76 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000276ABD05A60, 16 bytes long.
 Data: <0G&#208;&#171;v           > 30 47 D0 AB 76 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000276ABD04730, 40 bytes long.
 Data: <`Z&#208;&#171;v   &#176;&#168;&#180;&#173;v   > 60 5A D0 AB 76 02 00 00 B0 A8 B4 AD 76 02 00 00 
{259} normal block at 0x00000276ABD05100, 16 bytes long.
 Data: <0_&#208;&#171;v           > 30 5F D0 AB 76 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000276ABD05CE0, 16 bytes long.
 Data: < _&#208;&#171;v           > 08 5F D0 AB 76 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000276ABCFFDE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x00000276ABD05970, 16 bytes long.
 Data: <&#224;^&#208;&#171;v           > E0 5E D0 AB 76 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000276ABD05EE0, 992 bytes long.
 Data: <pY&#208;&#171;v   &#224;&#253;&#207;&#171;v   > 70 59 D0 AB 76 02 00 00 E0 FD CF AB 76 02 00 00 
{91} normal block at 0x00000276ABCFFCC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x00000276ABCFE930, 16 bytes long.
 Data: < &#222;&#207;&#171;v           > 10 DE CF AB 76 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000276ABCFDE10, 40 bytes long.
 Data: <0&#233;&#207;&#171;v   &#192;&#252;&#207;&#171;v   > 30 E9 CF AB 76 02 00 00 C0 FC CF AB 76 02 00 00 
{68} normal block at 0x00000276ABCFE200, 16 bytes long.
 Data: < &#234;&#137;&#191;&#247;           > 80 EA 89 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000276ABCFE980, 16 bytes long.
 Data: <@&#233;&#137;&#191;&#247;           > 40 E9 89 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000276ABCFE660, 16 bytes long.
 Data: <&#248;W&#134;&#191;&#247;           > F8 57 86 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000276ABCFEB60, 16 bytes long.
 Data: <&#216;W&#134;&#191;&#247;           > D8 57 86 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000276ABCFE430, 16 bytes long.
 Data: <P &#134;&#191;&#247;           > 50 04 86 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000276ABCFEB10, 16 bytes long.
 Data: <0 &#134;&#191;&#247;           > 30 04 86 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000276ABCFE160, 16 bytes long.
 Data: <&#224; &#134;&#191;&#247;           > E0 02 86 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000276ABCFE3E0, 16 bytes long.
 Data: <  &#134;&#191;&#247;           > 10 04 86 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000276ABCFE610, 16 bytes long.
 Data: <p &#134;&#191;&#247;           > 70 04 86 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000276ABCFE7F0, 16 bytes long.
 Data: < &#192;&#132;&#191;&#247;           > 18 C0 84 BF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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