Task 38657826

Name test_718-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND5284_0
Workunit 31601449
Created 24 Oct 2026, 12:04:02 UTC
Sent 24 Oct 2026, 12:43:38 UTC
Report deadline 29 Oct 2026, 12:43:38 UTC
Received 24 Oct 2026, 13:06:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648742
Run time 22 min 22 sec
CPU time 19 min 23 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 17,844.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 764.69 MB
Peak swap size 12.98 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:44:44 (24652): wrapper (7.9.26016): starting
14:44:44 (24652): 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
14:44:46 (24652): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:44:47 (24652): 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\3\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\3\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
15:06:11 (24652): C:/Windows/system32/cmd.exe exited; CPU time 1163.609375
15:06:11 (24652): 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: 20892739 bytes.
Dumping objects ->
{3835449} normal block at 0x000002106ED3BE70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835438} normal block at 0x000002106CE1AFF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835427} normal block at 0x000002106CE1AF10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835416} normal block at 0x000002106CE1AF80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835405} normal block at 0x000002106CE1B300, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835374} normal block at 0x000002106ECAC7A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835363} normal block at 0x000002106ECC41A0, 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) : {3835360} normal block at 0x000002106CE109B0, 8 bytes long.
 Data: <  6m    > 00 00 36 6D 10 02 00 00 
{3834646} normal block at 0x000002106ECC45C0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000002106CE10E10, 8 bytes long.
 Data: <0&#231;&#223;l    > 30 E7 DF 6C 10 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002106CE0DA10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002106CE068A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002106CE1BC50, 16 bytes long.
 Data: < &#201;&#225;l            > 98 C9 E1 6C 10 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002106CE1C600, 16 bytes long.
 Data: <p&#201;&#225;l            > 70 C9 E1 6C 10 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002106CE15A60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002106CE1B890, 16 bytes long.
 Data: <H&#201;&#225;l            > 48 C9 E1 6C 10 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002106CE1BF20, 16 bytes long.
 Data: < &#201;&#225;l            > 20 C9 E1 6C 10 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002106CE1BCF0, 16 bytes long.
 Data: <&#248;&#200;&#225;l            > F8 C8 E1 6C 10 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002106CE1BC00, 16 bytes long.
 Data: <&#208;&#200;&#225;l            > D0 C8 E1 6C 10 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002106CE1B140, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002106CE1C380, 16 bytes long.
 Data: <h&#237;&#223;l            > 68 ED DF 6C 10 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002106CE16120, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002106CE1BB60, 16 bytes long.
 Data: <@&#237;&#223;l            > 40 ED DF 6C 10 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002106CE1BBB0, 16 bytes long.
 Data: < &#237;&#223;l            > 18 ED DF 6C 10 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002106CE1BAC0, 16 bytes long.
 Data: <&#240;&#236;&#223;l            > F0 EC DF 6C 10 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002106CE1C2E0, 16 bytes long.
 Data: <&#200;&#236;&#223;l            > C8 EC DF 6C 10 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002106CE1C240, 16 bytes long.
 Data: <&#160;&#236;&#223;l            > A0 EC DF 6C 10 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002106CE1C100, 16 bytes long.
 Data: <x&#236;&#223;l            > 78 EC DF 6C 10 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002106CE162A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002106CE1BB10, 16 bytes long.
 Data: <P&#236;&#223;l            > 50 EC DF 6C 10 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002106CDFEC50, 320 bytes long.
 Data: < &#187;&#225;l    &#160;b&#225;l    > 10 BB E1 6C 10 02 00 00 A0 62 E1 6C 10 02 00 00 
{274} normal block at 0x000002106CE1C560, 16 bytes long.
 Data: <&#176;&#200;&#225;l            > B0 C8 E1 6C 10 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002106CE1BA20, 16 bytes long.
 Data: < &#200;&#225;l            > 88 C8 E1 6C 10 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002106CE165A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002106CE1C1F0, 16 bytes long.
 Data: <`&#200;&#225;l            > 60 C8 E1 6C 10 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002106CE16240, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002106CE1B9D0, 16 bytes long.
 Data: <&#168;&#199;&#225;l            > A8 C7 E1 6C 10 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002106CE1B7F0, 16 bytes long.
 Data: < &#199;&#225;l            > 80 C7 E1 6C 10 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002106CE1C510, 16 bytes long.
 Data: <X&#199;&#225;l            > 58 C7 E1 6C 10 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002106CE1C470, 16 bytes long.
 Data: <0&#199;&#225;l            > 30 C7 E1 6C 10 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002106CE1C290, 16 bytes long.
 Data: < &#199;&#225;l            > 08 C7 E1 6C 10 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002106CE1C4C0, 16 bytes long.
 Data: <&#224;&#198;&#225;l            > E0 C6 E1 6C 10 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002106CE1BED0, 16 bytes long.
 Data: <`&#176;&#225;l            > 60 B0 E1 6C 10 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002106CE1B060, 40 bytes long.
 Data: <&#208;&#190;&#225;l    &#160;&#199;&#202;n    > D0 BE E1 6C 10 02 00 00 A0 C7 CA 6E 10 02 00 00 
{260} normal block at 0x000002106CE1B980, 16 bytes long.
 Data: <&#192;&#198;&#225;l            > C0 C6 E1 6C 10 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002106CE1C060, 16 bytes long.
 Data: < &#198;&#225;l            > 98 C6 E1 6C 10 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002106CE160C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002106CE1BCA0, 16 bytes long.
 Data: <p&#198;&#225;l            > 70 C6 E1 6C 10 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002106CE1C670, 992 bytes long.
 Data: <&#160;&#188;&#225;l    &#192;`&#225;l    > A0 BC E1 6C 10 02 00 00 C0 60 E1 6C 10 02 00 00 
{92} normal block at 0x000002106CE159A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002106CE10140, 16 bytes long.
 Data: <p&#179;&#225;l            > 70 B3 E1 6C 10 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002106CE1B370, 40 bytes long.
 Data: <@ &#225;l    &#160;Y&#225;l    > 40 01 E1 6C 10 02 00 00 A0 59 E1 6C 10 02 00 00 
{69} normal block at 0x000002106CE10BE0, 16 bytes long.
 Data: < &#234;&#150;&&#246;           > 80 EA 96 26 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002106CE10AF0, 16 bytes long.
 Data: <@&#233;&#150;&&#246;           > 40 E9 96 26 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002106CE10D20, 16 bytes long.
 Data: <&#248;W&#147;&&#246;           > F8 57 93 26 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002106CE10320, 16 bytes long.
 Data: <&#216;W&#147;&&#246;           > D8 57 93 26 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002106CE10690, 16 bytes long.
 Data: <P &#147;&&#246;           > 50 04 93 26 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002106CE10280, 16 bytes long.
 Data: <0 &#147;&&#246;           > 30 04 93 26 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002106CE10DC0, 16 bytes long.
 Data: <&#224; &#147;&&#246;           > E0 02 93 26 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002106CE100A0, 16 bytes long.
 Data: <  &#147;&&#246;           > 10 04 93 26 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002106CE10190, 16 bytes long.
 Data: <p &#147;&&#246;           > 70 04 93 26 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002106CE107D0, 16 bytes long.
 Data: < &#192;&#145;&&#246;           > 18 C0 91 26 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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