Task 38646691

Name test_793-GPUGRID_TEST_ATM_1000_20261023-0-1-RND7907_0
Workunit 31591630
Created 23 Oct 2026, 16:44:26 UTC
Sent 23 Oct 2026, 17:49:41 UTC
Report deadline 28 Oct 2026, 17:49:41 UTC
Received 23 Oct 2026, 18:18:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 607849
Run time 24 min 19 sec
CPU time 21 min 14 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 35,485.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 719.36 MB
Peak swap size 6.93 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:54:18 (9172): wrapper (7.9.26016): starting
19:54:18 (9172): 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
19:54:19 (9172): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:54:19 (9172): 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\0\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\0\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
20:17:31 (9172): C:/Windows/system32/cmd.exe exited; CPU time 1274.078125
20:17:31 (9172): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 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: 23492067 bytes.
Dumping objects ->
{3835270} normal block at 0x0000013C1A0CA860, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x0000013C1A0CA4E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x0000013C1A0C9E50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835237} normal block at 0x0000013C1A0CAC50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x0000013C1A0CA240, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835195} normal block at 0x0000013C1BD373C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835182} normal block at 0x0000013C1A09E110, 8 bytes long.
 Data: <  P <   > 00 00 50 1A 3C 01 00 00 
{3833969} normal block at 0x0000013C1A09E9D0, 8 bytes long.
 Data: <&#192;&#234;  <   > C0 EA 17 1A 3C 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000013C1A09F170, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000013C1A097310, 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 0x0000013C1A0A7240, 16 bytes long.
 Data: < |  <           > 18 7C 0A 1A 3C 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000013C1A0A7740, 16 bytes long.
 Data: <&#240;{  <           > F0 7B 0A 1A 3C 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000013C1A0A1720, 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 0x0000013C1A0A74C0, 16 bytes long.
 Data: <&#200;{  <           > C8 7B 0A 1A 3C 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000013C1A0A6BB0, 16 bytes long.
 Data: <&#160;{  <           > A0 7B 0A 1A 3C 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000013C1A0A69D0, 16 bytes long.
 Data: <x{  <           > 78 7B 0A 1A 3C 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000013C1A0A6B60, 16 bytes long.
 Data: <P{  <           > 50 7B 0A 1A 3C 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000013C1A0A4FF0, 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 0x0000013C1A0A6CF0, 16 bytes long.
 Data: <&#200;&#158;	 <           > C8 9E 09 1A 3C 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000013C1A0A1900, 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 0x0000013C1A0A7470, 16 bytes long.
 Data: <&#160;&#158;	 <           > A0 9E 09 1A 3C 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000013C1A0A6930, 16 bytes long.
 Data: <x&#158;	 <           > 78 9E 09 1A 3C 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000013C1A0A7060, 16 bytes long.
 Data: <P&#158;	 <           > 50 9E 09 1A 3C 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000013C1A0A7420, 16 bytes long.
 Data: <(&#158;	 <           > 28 9E 09 1A 3C 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000013C1A0A6D40, 16 bytes long.
 Data: < &#158;	 <           > 00 9E 09 1A 3C 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000013C1A0A7010, 16 bytes long.
 Data: <&#216; 	 <           > D8 9D 09 1A 3C 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000013C1A0A1240, 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 0x0000013C1A0A73D0, 16 bytes long.
 Data: <&#176; 	 <           > B0 9D 09 1A 3C 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000013C1A099DB0, 320 bytes long.
 Data: <&#208;s  <   @   <   > D0 73 0A 1A 3C 01 00 00 40 12 0A 1A 3C 01 00 00 
{280} normal block at 0x0000013C1A0A76F0, 16 bytes long.
 Data: <0{  <           > 30 7B 0A 1A 3C 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000013C1A0A76A0, 16 bytes long.
 Data: < {  <           > 08 7B 0A 1A 3C 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000013C1A0A16C0, 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 0x0000013C1A0A7380, 16 bytes long.
 Data: <&#224;z  <           > E0 7A 0A 1A 3C 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000013C1A0A1B40, 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 0x0000013C1A0A7650, 16 bytes long.
 Data: <(z  <           > 28 7A 0A 1A 3C 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000013C1A0A6C50, 16 bytes long.
 Data: < z  <           > 00 7A 0A 1A 3C 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000013C1A0A6CA0, 16 bytes long.
 Data: <&#216;y  <           > D8 79 0A 1A 3C 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000013C1A0A7330, 16 bytes long.
 Data: <&#176;y  <           > B0 79 0A 1A 3C 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000013C1A0A7880, 16 bytes long.
 Data: < y  <           > 88 79 0A 1A 3C 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000013C1A0A7290, 16 bytes long.
 Data: <`y  <           > 60 79 0A 1A 3C 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000013C1A0A72E0, 16 bytes long.
 Data: <&#208;P  <           > D0 50 0A 1A 3C 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000013C1A0A50D0, 40 bytes long.
 Data: <&#224;r  <   &#192;s&#211; <   > E0 72 0A 1A 3C 01 00 00 C0 73 D3 1B 3C 01 00 00 
{266} normal block at 0x0000013C1A0A7600, 16 bytes long.
 Data: <@y  <           > 40 79 0A 1A 3C 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000013C1A0A6A70, 16 bytes long.
 Data: < y  <           > 18 79 0A 1A 3C 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000013C1A0A0DC0, 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 0x0000013C1A0A6FC0, 16 bytes long.
 Data: <&#240;x  <           > F0 78 0A 1A 3C 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000013C1A0A78F0, 992 bytes long.
 Data: <&#192;o  <   &#192;   <   > C0 6F 0A 1A 3C 01 00 00 C0 0D 0A 1A 3C 01 00 00 
{98} normal block at 0x0000013C1A0A1AE0, 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 0x0000013C1A09EE80, 16 bytes long.
 Data: < S  <           > 00 53 0A 1A 3C 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000013C1A0A5300, 40 bytes long.
 Data: < &#238;	 <   &#224;   <   > 80 EE 09 1A 3C 01 00 00 E0 1A 0A 1A 3C 01 00 00 
{75} normal block at 0x0000013C1A09E700, 16 bytes long.
 Data: < &#234;}&#234;&#246;           > 80 EA 7D EA F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000013C1A09E160, 16 bytes long.
 Data: <@&#233;}&#234;&#246;           > 40 E9 7D EA F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000013C1A09E6B0, 16 bytes long.
 Data: <&#248;Wz&#234;&#246;           > F8 57 7A EA F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000013C1A09E660, 16 bytes long.
 Data: <&#216;Wz&#234;&#246;           > D8 57 7A EA F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000013C1A09E390, 16 bytes long.
 Data: <P z&#234;&#246;           > 50 04 7A EA F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000013C1A09E570, 16 bytes long.
 Data: <0 z&#234;&#246;           > 30 04 7A EA F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000013C1A09E200, 16 bytes long.
 Data: <&#224; z&#234;&#246;           > E0 02 7A EA F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000013C1A09EE30, 16 bytes long.
 Data: <  z&#234;&#246;           > 10 04 7A EA F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000013C1A09EC50, 16 bytes long.
 Data: <p z&#234;&#246;           > 70 04 7A EA F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000013C1A09E610, 16 bytes long.
 Data: < &#192;x&#234;&#246;           > 18 C0 78 EA F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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