Task 38682185

Name test_623-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND5441_0
Workunit 31623815
Created 27 Oct 2026, 6:52:36 UTC
Sent 27 Oct 2026, 6:52:38 UTC
Report deadline 1 Nov 2026, 6:52:38 UTC
Received 27 Oct 2026, 7:27:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 580951
Run time 32 min 27 sec
CPU time 29 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 18,926.93 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 696.50 MB
Peak swap size 3.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.16.11</core_client_version>
<![CDATA[
<stderr_txt>
07:55:00 (6920): wrapper (7.9.26016): starting
07:55:00 (6920): 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
07:55:02 (6920): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:55:02 (6920): 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\1\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\1\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
08:25:52 (6920): C:/Windows/system32/cmd.exe exited; CPU time 1796.421875
08:25:52 (6920): called boinc_finish(0)
0 bytes in 0 Free Blocks.
546 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: 28135855 bytes.
Dumping objects ->
{3835287} normal block at 0x000002BD6F3D0ED0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835276} normal block at 0x000002BD6F3D1100, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835265} normal block at 0x000002BD6F3D1410, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835254} normal block at 0x000002BD6F3D0DF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835243} normal block at 0x000002BD6F3D0840, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835212} normal block at 0x000002BD6F4C31B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x000002BD6DABAF80, 145 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) : {3835198} normal block at 0x000002BD6DA58750, 8 bytes long.
 Data: <  &#160;m&#189;   > 00 00 A0 6D BD 02 00 00 
{3834558} normal block at 0x000002BD6DABAB70, 145 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x000002BD6DA58430, 8 bytes long.
 Data: <&#208; Ro&#189;   > D0 11 52 6F BD 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000002BD6DA61970, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002BD6DA4C0C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000002BD6DA62EB0, 16 bytes long.
 Data: <X=&#166;m&#189;           > 58 3D A6 6D BD 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002BD6DA63540, 16 bytes long.
 Data: <0=&#166;m&#189;           > 30 3D A6 6D BD 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002BD6DA5DCA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000002BD6DA62C30, 16 bytes long.
 Data: < =&#166;m&#189;           > 08 3D A6 6D BD 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002BD6DA63770, 16 bytes long.
 Data: <&#224;<&#166;m&#189;           > E0 3C A6 6D BD 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002BD6DA62BE0, 16 bytes long.
 Data: <&#184;<&#166;m&#189;           > B8 3C A6 6D BD 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002BD6DA62B90, 16 bytes long.
 Data: < <&#166;m&#189;           > 90 3C A6 6D BD 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002BD6DA5C900, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000002BD6DA630E0, 16 bytes long.
 Data: <&#232;&#213;&#165;m&#189;           > E8 D5 A5 6D BD 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002BD6DA5E4E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000002BD6DA63310, 16 bytes long.
 Data: <&#192;&#213;&#165;m&#189;           > C0 D5 A5 6D BD 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002BD6DA62B40, 16 bytes long.
 Data: < &#213;&#165;m&#189;           > 98 D5 A5 6D BD 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002BD6DA633B0, 16 bytes long.
 Data: <p&#213;&#165;m&#189;           > 70 D5 A5 6D BD 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002BD6DA63450, 16 bytes long.
 Data: <H&#213;&#165;m&#189;           > 48 D5 A5 6D BD 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002BD6DA635E0, 16 bytes long.
 Data: < &#213;&#165;m&#189;           > 20 D5 A5 6D BD 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002BD6DA63090, 16 bytes long.
 Data: <&#248;&#212;&#165;m&#189;           > F8 D4 A5 6D BD 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002BD6DA5DEE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000002BD6DA63180, 16 bytes long.
 Data: <&#208;&#212;&#165;m&#189;           > D0 D4 A5 6D BD 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002BD6DA5D4D0, 320 bytes long.
 Data: < 1&#166;m&#189;   &#224;&#222;&#165;m&#189;   > 80 31 A6 6D BD 02 00 00 E0 DE A5 6D BD 02 00 00 
{270} normal block at 0x000002BD6DA62A00, 16 bytes long.
 Data: <p<&#166;m&#189;           > 70 3C A6 6D BD 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002BD6DA62AA0, 16 bytes long.
 Data: <H<&#166;m&#189;           > 48 3C A6 6D BD 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002BD6DA5E420, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000002BD6DA63130, 16 bytes long.
 Data: < <&#166;m&#189;           > 20 3C A6 6D BD 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002BD6DA5E660, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000002BD6DA63360, 16 bytes long.
 Data: <h;&#166;m&#189;           > 68 3B A6 6D BD 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002BD6DA62C80, 16 bytes long.
 Data: <@;&#166;m&#189;           > 40 3B A6 6D BD 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002BD6DA629B0, 16 bytes long.
 Data: < ;&#166;m&#189;           > 18 3B A6 6D BD 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002BD6DA62960, 16 bytes long.
 Data: <&#240;:&#166;m&#189;           > F0 3A A6 6D BD 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002BD6DA63040, 16 bytes long.
 Data: <&#200;:&#166;m&#189;           > C8 3A A6 6D BD 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002BD6DA62DC0, 16 bytes long.
 Data: <&#160;:&#166;m&#189;           > A0 3A A6 6D BD 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002BD6DA63720, 16 bytes long.
 Data: <0&#196;&#165;m&#189;           > 30 C4 A5 6D BD 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002BD6DA5C430, 40 bytes long.
 Data: < 7&#166;m&#189;   &#176;1Lo&#189;   > 20 37 A6 6D BD 02 00 00 B0 31 4C 6F BD 02 00 00 
{256} normal block at 0x000002BD6DA636D0, 16 bytes long.
 Data: < :&#166;m&#189;           > 80 3A A6 6D BD 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002BD6DA62AF0, 16 bytes long.
 Data: <X:&#166;m&#189;           > 58 3A A6 6D BD 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002BD6DA5E360, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000002BD6DA62F50, 16 bytes long.
 Data: <0:&#166;m&#189;           > 30 3A A6 6D BD 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002BD6DA63A30, 992 bytes long.
 Data: <P/&#166;m&#189;   `&#227;&#165;m&#189;   > 50 2F A6 6D BD 02 00 00 60 E3 A5 6D BD 02 00 00 
{88} normal block at 0x000002BD6DA5E540, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000002BD6DA57C10, 16 bytes long.
 Data: <&#176;&#199;&#165;m&#189;           > B0 C7 A5 6D BD 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000002BD6DA5C7B0, 40 bytes long.
 Data: < |&#165;m&#189;   @&#229;&#165;m&#189;   > 10 7C A5 6D BD 02 00 00 40 E5 A5 6D BD 02 00 00 
{65} normal block at 0x000002BD6DA57A80, 16 bytes long.
 Data: < &#234;&#203; &#247;           > 80 EA CB 0E F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002BD6DA58390, 16 bytes long.
 Data: <@&#233;&#203; &#247;           > 40 E9 CB 0E F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002BD6DA58700, 16 bytes long.
 Data: <&#248;W&#200; &#247;           > F8 57 C8 0E F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002BD6DA57A30, 16 bytes long.
 Data: <&#216;W&#200; &#247;           > D8 57 C8 0E F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002BD6DA58520, 16 bytes long.
 Data: <P &#200; &#247;           > 50 04 C8 0E F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002BD6DA582A0, 16 bytes long.
 Data: <0 &#200; &#247;           > 30 04 C8 0E F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002BD6DA57E90, 16 bytes long.
 Data: <&#224; &#200; &#247;           > E0 02 C8 0E F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002BD6DA586B0, 16 bytes long.
 Data: <  &#200; &#247;           > 10 04 C8 0E F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002BD6DA580C0, 16 bytes long.
 Data: <p &#200; &#247;           > 70 04 C8 0E F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002BD6DA57EE0, 16 bytes long.
 Data: < &#192;&#198; &#247;           > 18 C0 C6 0E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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