Task 38672570

Name test_767-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND8999_1
Workunit 31614601
Created 25 Oct 2026, 23:49:11 UTC
Sent 25 Oct 2026, 23:49:21 UTC
Report deadline 30 Oct 2026, 23:49:21 UTC
Received 26 Oct 2026, 0:42:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647966
Run time 51 min 33 sec
CPU time 49 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 745.88 MB
Peak swap size 13.42 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:45:58 (21600): wrapper (7.9.26016): starting
06:45:58 (21600): 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
06:45:59 (21600): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:45:59 (21600): 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\36\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\36\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
07:36:24 (21600): C:/Windows/system32/cmd.exe exited; CPU time 2989.515625
07:36:24 (21600): 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: 49086833 bytes.
Dumping objects ->
{3835242} normal block at 0x0000019B4283FF90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x0000019B42840150, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835220} normal block at 0x0000019B4283F3C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835209} normal block at 0x0000019B4283FBA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x0000019B40B05DF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835167} normal block at 0x0000019B42888810, 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) : {3835154} normal block at 0x0000019B40AFC8D0, 8 bytes long.
 Data: <  &#242;@&#155;   > 00 00 F2 40 9B 01 00 00 
{3833985} normal block at 0x0000019B40AFC830, 8 bytes long.
 Data: <&#240;&#181;&#178;@&#155;   > F0 B5 B2 40 9B 01 00 00 
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x0000019B40B03030, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x0000019B40AF85B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{308} normal block at 0x0000019B40B084D0, 16 bytes long.
 Data: < &#139;&#176;@&#155;           > 98 8B B0 40 9B 01 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x0000019B40B07DA0, 16 bytes long.
 Data: <p&#139;&#176;@&#155;           > 70 8B B0 40 9B 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x0000019B40B00B10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{305} normal block at 0x0000019B40B079E0, 16 bytes long.
 Data: <H&#139;&#176;@&#155;           > 48 8B B0 40 9B 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000019B40B07760, 16 bytes long.
 Data: < &#139;&#176;@&#155;           > 20 8B B0 40 9B 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000019B40B08160, 16 bytes long.
 Data: <&#248;&#138;&#176;@&#155;           > F8 8A B0 40 9B 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000019B40B08020, 16 bytes long.
 Data: <&#208;&#138;&#176;@&#155;           > D0 8A B0 40 9B 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000019B40B05B50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{300} normal block at 0x0000019B40B08340, 16 bytes long.
 Data: <ht&#176;@&#155;           > 68 74 B0 40 9B 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000019B40B00AB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{298} normal block at 0x0000019B40B082F0, 16 bytes long.
 Data: <@t&#176;@&#155;           > 40 74 B0 40 9B 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000019B40B07D00, 16 bytes long.
 Data: < t&#176;@&#155;           > 18 74 B0 40 9B 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000019B40B07F80, 16 bytes long.
 Data: <&#240;s&#176;@&#155;           > F0 73 B0 40 9B 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000019B40B07BC0, 16 bytes long.
 Data: <&#200;s&#176;@&#155;           > C8 73 B0 40 9B 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000019B40B07CB0, 16 bytes long.
 Data: <&#160;s&#176;@&#155;           > A0 73 B0 40 9B 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000019B40B07990, 16 bytes long.
 Data: <xs&#176;@&#155;           > 78 73 B0 40 9B 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000019B40B00C30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{290} normal block at 0x0000019B40B07850, 16 bytes long.
 Data: <Ps&#176;@&#155;           > 50 73 B0 40 9B 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000019B40B07350, 320 bytes long.
 Data: <Px&#176;@&#155;   0 &#176;@&#155;   > 50 78 B0 40 9B 01 00 00 30 0C B0 40 9B 01 00 00 
{288} normal block at 0x0000019B40B083E0, 16 bytes long.
 Data: <&#176;&#138;&#176;@&#155;           > B0 8A B0 40 9B 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000019B40B07AD0, 16 bytes long.
 Data: < &#138;&#176;@&#155;           > 88 8A B0 40 9B 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000019B40B009F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{285} normal block at 0x0000019B40B07620, 16 bytes long.
 Data: <`&#138;&#176;@&#155;           > 60 8A B0 40 9B 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000019B40B00210, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{283} normal block at 0x0000019B40B07D50, 16 bytes long.
 Data: <&#168;&#137;&#176;@&#155;           > A8 89 B0 40 9B 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019B40B08390, 16 bytes long.
 Data: < &#137;&#176;@&#155;           > 80 89 B0 40 9B 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000019B40B081B0, 16 bytes long.
 Data: <X&#137;&#176;@&#155;           > 58 89 B0 40 9B 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000019B40B075D0, 16 bytes long.
 Data: <0&#137;&#176;@&#155;           > 30 89 B0 40 9B 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000019B40B07EE0, 16 bytes long.
 Data: < &#137;&#176;@&#155;           > 08 89 B0 40 9B 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000019B40B082A0, 16 bytes long.
 Data: <&#224; &#176;@&#155;           > E0 88 B0 40 9B 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000019B40B07B70, 16 bytes long.
 Data: <&#176;_&#176;@&#155;           > B0 5F B0 40 9B 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000019B40B05FB0, 40 bytes long.
 Data: <p{&#176;@&#155;      B&#155;   > 70 7B B0 40 9B 01 00 00 10 88 88 42 9B 01 00 00 
{274} normal block at 0x0000019B40B07940, 16 bytes long.
 Data: <&#192; &#176;@&#155;           > C0 88 B0 40 9B 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000019B40B07A80, 16 bytes long.
 Data: <  &#176;@&#155;           > 98 88 B0 40 9B 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000019B40B00A50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{271} normal block at 0x0000019B40B07710, 16 bytes long.
 Data: <p &#176;@&#155;           > 70 88 B0 40 9B 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000019B40B08870, 992 bytes long.
 Data: < w&#176;@&#155;   P &#176;@&#155;   > 10 77 B0 40 9B 01 00 00 50 0A B0 40 9B 01 00 00 
{106} normal block at 0x0000019B40B00630, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{105} normal block at 0x0000019B40AFCA60, 16 bytes long.
 Data: < ]&#176;@&#155;           > 10 5D B0 40 9B 01 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x0000019B40B05D10, 40 bytes long.
 Data: <`&#202;&#175;@&#155;   0 &#176;@&#155;   > 60 CA AF 40 9B 01 00 00 30 06 B0 40 9B 01 00 00 
{83} normal block at 0x0000019B40AFC740, 16 bytes long.
 Data: < &#234;&#158;"&#246;           > 80 EA 9E 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000019B40AFC1F0, 16 bytes long.
 Data: <@&#233;&#158;"&#246;           > 40 E9 9E 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x0000019B40AFC1A0, 16 bytes long.
 Data: <&#248;W&#155;"&#246;           > F8 57 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x0000019B40AFCD80, 16 bytes long.
 Data: <&#216;W&#155;"&#246;           > D8 57 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000019B40AFC510, 16 bytes long.
 Data: <P &#155;"&#246;           > 50 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000019B40AFC970, 16 bytes long.
 Data: <0 &#155;"&#246;           > 30 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000019B40AFC7E0, 16 bytes long.
 Data: <&#224; &#155;"&#246;           > E0 02 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000019B40AFCA10, 16 bytes long.
 Data: <  &#155;"&#246;           > 10 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000019B40AFCD30, 16 bytes long.
 Data: <p &#155;"&#246;           > 70 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000019B40AFC380, 16 bytes long.
 Data: < &#192; "&#246;           > 18 C0 99 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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