Task 38653091

Name test_483-GPUGRID_TEST_ATM_4STEP_20261023-3-4-RND7107_0
Workunit 31597114
Created 24 Oct 2026, 5:01:59 UTC
Sent 24 Oct 2026, 5:17:43 UTC
Report deadline 29 Oct 2026, 5:17:43 UTC
Received 24 Oct 2026, 8:39:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647196
Run time 1 hours 31 min 37 sec
CPU time 1 hours 17 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,219.62 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 706.94 MB
Peak swap size 6.89 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:06:09 (27896): wrapper (7.9.26016): starting
02:06:09 (27896): 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
02:06:11 (27896): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:06:11 (27896): 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
03:33:36 (27896): C:/Windows/system32/cmd.exe exited; CPU time 4678.906250
03:33:37 (27896): 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: 95980155 bytes.
Dumping objects ->
{3835428} normal block at 0x0000021CD2E7D4D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835417} normal block at 0x0000021CD1254A70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835406} normal block at 0x0000021CD1254A00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835395} normal block at 0x0000021CD1254990, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835384} normal block at 0x0000021CD1254920, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835353} normal block at 0x0000021CD2EC6880, 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) : {3835340} normal block at 0x0000021CD124F6E0, 8 bytes long.
 Data: <   &#209;    > 00 00 20 D1 1C 02 00 00 
{3833957} normal block at 0x0000021CD1250630, 8 bytes long.
 Data: <&#192;=&#242;&#210;    > C0 3D F2 D2 1C 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000021CD1246B20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021CD1247180, 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 0x0000021CD1255B00, 16 bytes long.
 Data: <&#184;f%&#209;            > B8 66 25 D1 1C 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021CD1255C90, 16 bytes long.
 Data: < f%&#209;            > 90 66 25 D1 1C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021CD1250ED0, 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 0x0000021CD1255A60, 16 bytes long.
 Data: <hf%&#209;            > 68 66 25 D1 1C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021CD1255E20, 16 bytes long.
 Data: <@f%&#209;            > 40 66 25 D1 1C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021CD1256190, 16 bytes long.
 Data: < f%&#209;            > 18 66 25 D1 1C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021CD1255F10, 16 bytes long.
 Data: <&#240;e%&#209;            > F0 65 25 D1 1C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021CD1254B50, 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 0x0000021CD1256140, 16 bytes long.
 Data: < &#249;#&#209;            > 98 F9 23 D1 1C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021CD1250AB0, 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 0x0000021CD1255510, 16 bytes long.
 Data: <p&#249;#&#209;            > 70 F9 23 D1 1C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021CD1255470, 16 bytes long.
 Data: <H&#249;#&#209;            > 48 F9 23 D1 1C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021CD1255650, 16 bytes long.
 Data: < &#249;#&#209;            > 20 F9 23 D1 1C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021CD12562D0, 16 bytes long.
 Data: <&#248;&#248;#&#209;            > F8 F8 23 D1 1C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021CD1256320, 16 bytes long.
 Data: <&#208;&#248;#&#209;            > D0 F8 23 D1 1C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021CD1255D30, 16 bytes long.
 Data: <&#168;&#248;#&#209;            > A8 F8 23 D1 1C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021CD1250870, 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 0x0000021CD1255EC0, 16 bytes long.
 Data: < &#248;#&#209;            > 80 F8 23 D1 1C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021CD123F880, 320 bytes long.
 Data: <&#192;^%&#209;    p %&#209;    > C0 5E 25 D1 1C 02 00 00 70 08 25 D1 1C 02 00 00 
{274} normal block at 0x0000021CD1256280, 16 bytes long.
 Data: <&#208;e%&#209;            > D0 65 25 D1 1C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021CD1255880, 16 bytes long.
 Data: <&#168;e%&#209;            > A8 65 25 D1 1C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021CD12510B0, 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 0x0000021CD1255C40, 16 bytes long.
 Data: < e%&#209;            > 80 65 25 D1 1C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021CD1250BD0, 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 0x0000021CD1255AB0, 16 bytes long.
 Data: <&#200;d%&#209;            > C8 64 25 D1 1C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021CD12561E0, 16 bytes long.
 Data: <&#160;d%&#209;            > A0 64 25 D1 1C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021CD1255DD0, 16 bytes long.
 Data: <xd%&#209;            > 78 64 25 D1 1C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021CD1255970, 16 bytes long.
 Data: <Pd%&#209;            > 50 64 25 D1 1C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021CD12560A0, 16 bytes long.
 Data: <(d%&#209;            > 28 64 25 D1 1C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021CD1255F60, 16 bytes long.
 Data: < d%&#209;            > 00 64 25 D1 1C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021CD1255560, 16 bytes long.
 Data: < F%&#209;            > 10 46 25 D1 1C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021CD1254610, 40 bytes long.
 Data: <`U%&#209;     h&#236;&#210;    > 60 55 25 D1 1C 02 00 00 80 68 EC D2 1C 02 00 00 
{260} normal block at 0x0000021CD1256050, 16 bytes long.
 Data: <&#224;c%&#209;            > E0 63 25 D1 1C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021CD1255600, 16 bytes long.
 Data: <&#184;c%&#209;            > B8 63 25 D1 1C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021CD1250810, 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 0x0000021CD12560F0, 16 bytes long.
 Data: < c%&#209;            > 90 63 25 D1 1C 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000021CD1256390, 992 bytes long.
 Data: <&#240;`%&#209;      %&#209;    > F0 60 25 D1 1C 02 00 00 10 08 25 D1 1C 02 00 00 
{92} normal block at 0x0000021CD1250C30, 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 0x0000021CD1250180, 16 bytes long.
 Data: <0&#214;#&#209;            > 30 D6 23 D1 1C 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000021CD123D630, 40 bytes long.
 Data: <  %&#209;    0 %&#209;    > 80 01 25 D1 1C 02 00 00 30 0C 25 D1 1C 02 00 00 
{69} normal block at 0x0000021CD1250400, 16 bytes long.
 Data: < &#234;:&#130;&#246;           > 80 EA 3A 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021CD1250540, 16 bytes long.
 Data: <@&#233;:&#130;&#246;           > 40 E9 3A 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021CD124F9B0, 16 bytes long.
 Data: <&#248;W7&#130;&#246;           > F8 57 37 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021CD12504F0, 16 bytes long.
 Data: <&#216;W7&#130;&#246;           > D8 57 37 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021CD124FD70, 16 bytes long.
 Data: <P 7&#130;&#246;           > 50 04 37 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021CD124FFF0, 16 bytes long.
 Data: <0 7&#130;&#246;           > 30 04 37 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021CD1250590, 16 bytes long.
 Data: <&#224; 7&#130;&#246;           > E0 02 37 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021CD124FF50, 16 bytes long.
 Data: <  7&#130;&#246;           > 10 04 37 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021CD1250040, 16 bytes long.
 Data: <p 7&#130;&#246;           > 70 04 37 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021CD124F8C0, 16 bytes long.
 Data: < &#192;5&#130;&#246;           > 18 C0 35 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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