Task 38694812

Name test_510-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND6305_0
Workunit 31635542
Created 31 Oct 2026, 2:30:34 UTC
Sent 31 Oct 2026, 2:30:43 UTC
Report deadline 5 Nov 2026, 2:30:43 UTC
Received 31 Oct 2026, 4:40:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 632144
Run time 49 min 1 sec
CPU time 47 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,149.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.06 MB
Peak swap size 6.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:51:08 (34752): wrapper (7.9.26016): starting
20:51:08 (34752): 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
20:51:09 (34752): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:51:09 (34752): 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\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 'C:\ProgramData\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
21:39:25 (34752): C:/Windows/system32/cmd.exe exited; CPU time 2846.609375
21:39:25 (34752): 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: 95030081 bytes.
Dumping objects ->
{3835638} normal block at 0x000001EA5D012120, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835627} normal block at 0x000001EA5D011710, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835616} normal block at 0x000001EA5D011630, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835605} normal block at 0x000001EA5D0115C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835594} normal block at 0x000001EA5D011B00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835563} normal block at 0x000001EA5EE18BB0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835552} normal block at 0x000001EA5EDA34D0, 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) : {3835549} normal block at 0x000001EA5CFDF130, 8 bytes long.
 Data: <  S]&#234;   > 00 00 53 5D EA 01 00 00 
{3834742} normal block at 0x000001EA5EDA3370, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833987} normal block at 0x000001EA5CFDEAA0, 8 bytes long.
 Data: <p&#235; ]&#234;   > 70 EB 0B 5D EA 01 00 00 
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x000001EA5CFE4C60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{310} normal block at 0x000001EA5CFDA630, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{309} normal block at 0x000001EA5CFEA6D0, 16 bytes long.
 Data: <&#200;&#174;&#254;\&#234;           > C8 AE FE 5C EA 01 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x000001EA5CFEA220, 16 bytes long.
 Data: <&#160;&#174;&#254;\&#234;           > A0 AE FE 5C EA 01 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x000001EA5CFE6870, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{306} normal block at 0x000001EA5CFEA810, 16 bytes long.
 Data: <x&#174;&#254;\&#234;           > 78 AE FE 5C EA 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000001EA5CFEA9F0, 16 bytes long.
 Data: <P&#174;&#254;\&#234;           > 50 AE FE 5C EA 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001EA5CFEA5E0, 16 bytes long.
 Data: <(&#174;&#254;\&#234;           > 28 AE FE 5C EA 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001EA5CFEA590, 16 bytes long.
 Data: < &#174;&#254;\&#234;           > 00 AE FE 5C EA 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001EA5CFE8630, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{301} normal block at 0x000001EA5CFEA4F0, 16 bytes long.
 Data: <  &#253;\&#234;           > 08 15 FD 5C EA 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001EA5CFE5DF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{299} normal block at 0x000001EA5CFE9D20, 16 bytes long.
 Data: <&#224; &#253;\&#234;           > E0 14 FD 5C EA 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001EA5CFEA4A0, 16 bytes long.
 Data: <&#184; &#253;\&#234;           > B8 14 FD 5C EA 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001EA5CFE9C80, 16 bytes long.
 Data: <  &#253;\&#234;           > 90 14 FD 5C EA 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001EA5CFEA450, 16 bytes long.
 Data: <h &#253;\&#234;           > 68 14 FD 5C EA 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001EA5CFEA7C0, 16 bytes long.
 Data: <@ &#253;\&#234;           > 40 14 FD 5C EA 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001EA5CFEA540, 16 bytes long.
 Data: <  &#253;\&#234;           > 18 14 FD 5C EA 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001EA5CFE5D30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{291} normal block at 0x000001EA5CFEA130, 16 bytes long.
 Data: <&#240; &#253;\&#234;           > F0 13 FD 5C EA 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001EA5CFD13F0, 320 bytes long.
 Data: <0&#161;&#254;\&#234;   0]&#254;\&#234;   > 30 A1 FE 5C EA 01 00 00 30 5D FE 5C EA 01 00 00 
{289} normal block at 0x000001EA5CFE9D70, 16 bytes long.
 Data: <&#224;&#173;&#254;\&#234;           > E0 AD FE 5C EA 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001EA5CFEA090, 16 bytes long.
 Data: <&#184;&#173;&#254;\&#234;           > B8 AD FE 5C EA 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001EA5CFE61B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{286} normal block at 0x000001EA5CFEA040, 16 bytes long.
 Data: < &#173;&#254;\&#234;           > 90 AD FE 5C EA 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001EA5CFE6690, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{284} normal block at 0x000001EA5CFEA400, 16 bytes long.
 Data: <&#216;&#172;&#254;\&#234;           > D8 AC FE 5C EA 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001EA5CFE9FF0, 16 bytes long.
 Data: <&#176;&#172;&#254;\&#234;           > B0 AC FE 5C EA 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EA5CFEA9A0, 16 bytes long.
 Data: < &#172;&#254;\&#234;           > 88 AC FE 5C EA 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EA5CFE9BE0, 16 bytes long.
 Data: <`&#172;&#254;\&#234;           > 60 AC FE 5C EA 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EA5CFEA770, 16 bytes long.
 Data: <8&#172;&#254;\&#234;           > 38 AC FE 5C EA 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EA5CFEA1D0, 16 bytes long.
 Data: < &#172;&#254;\&#234;           > 10 AC FE 5C EA 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001EA5CFEA180, 16 bytes long.
 Data: < &#135;&#254;\&#234;           > 80 87 FE 5C EA 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001EA5CFE8780, 40 bytes long.
 Data: < &#161;&#254;\&#234;   &#176;&#139;&#225;^&#234;   > 80 A1 FE 5C EA 01 00 00 B0 8B E1 5E EA 01 00 00 
{275} normal block at 0x000001EA5CFE9CD0, 16 bytes long.
 Data: <&#240;&#171;&#254;\&#234;           > F0 AB FE 5C EA 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001EA5CFE9FA0, 16 bytes long.
 Data: <&#200;&#171;&#254;\&#234;           > C8 AB FE 5C EA 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001EA5CFE62D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{272} normal block at 0x000001EA5CFEA310, 16 bytes long.
 Data: <&#160;&#171;&#254;\&#234;           > A0 AB FE 5C EA 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001EA5CFEABA0, 992 bytes long.
 Data: < &#163;&#254;\&#234;   &#208;b&#254;\&#234;   > 10 A3 FE 5C EA 01 00 00 D0 62 FE 5C EA 01 00 00 
{107} normal block at 0x000001EA5CFE6B70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{106} normal block at 0x000001EA5CFDEB40, 16 bytes long.
 Data: <` &#254;\&#234;           > 60 88 FE 5C EA 01 00 00 00 00 00 00 00 00 00 00 
{105} normal block at 0x000001EA5CFE8860, 40 bytes long.
 Data: <@&#235;&#253;\&#234;   pk&#254;\&#234;   > 40 EB FD 5C EA 01 00 00 70 6B FE 5C EA 01 00 00 
{84} normal block at 0x000001EA5CFDE500, 16 bytes long.
 Data: < &#234;.&#245;&#246;           > 80 EA 2E F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000001EA5CFDE550, 16 bytes long.
 Data: <@&#233;.&#245;&#246;           > 40 E9 2E F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000001EA5CFDEC30, 16 bytes long.
 Data: <&#248;W+&#245;&#246;           > F8 57 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000001EA5CFDE910, 16 bytes long.
 Data: <&#216;W+&#245;&#246;           > D8 57 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000001EA5CFDE3C0, 16 bytes long.
 Data: <P +&#245;&#246;           > 50 04 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000001EA5CFDE410, 16 bytes long.
 Data: <0 +&#245;&#246;           > 30 04 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000001EA5CFDE460, 16 bytes long.
 Data: <&#224; +&#245;&#246;           > E0 02 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001EA5CFDF040, 16 bytes long.
 Data: <  +&#245;&#246;           > 10 04 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001EA5CFDEFF0, 16 bytes long.
 Data: <p +&#245;&#246;           > 70 04 2B F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001EA5CFDEDC0, 16 bytes long.
 Data: < &#192;)&#245;&#246;           > 18 C0 29 F5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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