Task 38698374

Name test_592-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND5502_0
Workunit 31638895
Created 2 Nov 2026, 11:30:06 UTC
Sent 2 Nov 2026, 11:30:10 UTC
Report deadline 7 Nov 2026, 11:30:10 UTC
Received 3 Nov 2026, 8:42:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 485535
Run time 1 hours 4 min 1 sec
CPU time 56 min 22 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,200.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 684.54 MB
Peak swap size 2.37 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:40:18 (20080): wrapper (7.9.26016): starting
08:40:18 (20080): 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
08:40:22 (20080): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:40:22 (20080): 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\1\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\1\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
09:41:41 (20080): C:/Windows/system32/cmd.exe exited; CPU time 3382.281250
09:41:41 (20080): 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: 50758991 bytes.
Dumping objects ->
{3835416} normal block at 0x000001AF524616F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835405} normal block at 0x000001AF52460DC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835394} normal block at 0x000001AF52461060, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835383} normal block at 0x000001AF52460F80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835372} normal block at 0x000001AF52461220, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835341} normal block at 0x000001AF52553D00, 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) : {3835328} normal block at 0x000001AF50A08870, 8 bytes long.
 Data: <   P&#175;   > 00 00 99 50 AF 01 00 00 
{3833949} normal block at 0x000001AF50A08410, 8 bytes long.
 Data: < &#234;&#174;P&#175;   > 90 EA AE 50 AF 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001AF50A133E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001AF509FC500, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000001AF50A14650, 16 bytes long.
 Data: < V P&#175;           > 88 56 A1 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001AF50A14E70, 16 bytes long.
 Data: <`V P&#175;           > 60 56 A1 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001AF50A0E460, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000001AF50A14D80, 16 bytes long.
 Data: <8V P&#175;           > 38 56 A1 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001AF50A14C90, 16 bytes long.
 Data: < V P&#175;           > 10 56 A1 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001AF50A14C40, 16 bytes long.
 Data: <&#232;U P&#175;           > E8 55 A1 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001AF50A14BA0, 16 bytes long.
 Data: <&#192;U P&#175;           > C0 55 A1 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001AF50A0D050, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000001AF50A143D0, 16 bytes long.
 Data: <&#184;&#224;&#160;P&#175;           > B8 E0 A0 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001AF50A0EF40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000001AF50A150A0, 16 bytes long.
 Data: < &#224;&#160;P&#175;           > 90 E0 A0 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001AF50A14B50, 16 bytes long.
 Data: <h&#224;&#160;P&#175;           > 68 E0 A0 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001AF50A14B00, 16 bytes long.
 Data: <@&#224;&#160;P&#175;           > 40 E0 A0 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001AF50A14AB0, 16 bytes long.
 Data: < &#224;&#160;P&#175;           > 18 E0 A0 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001AF50A14330, 16 bytes long.
 Data: <&#240;&#223;&#160;P&#175;           > F0 DF A0 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001AF50A14600, 16 bytes long.
 Data: <&#200;&#223;&#160;P&#175;           > C8 DF A0 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001AF50A0EEE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000001AF50A14380, 16 bytes long.
 Data: <&#160;&#223;&#160;P&#175;           > A0 DF A0 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001AF50A0DFA0, 320 bytes long.
 Data: < C P&#175;   &#224;&#238;&#160;P&#175;   > 80 43 A1 50 AF 01 00 00 E0 EE A0 50 AF 01 00 00 
{270} normal block at 0x000001AF50A14CE0, 16 bytes long.
 Data: <&#160;U P&#175;           > A0 55 A1 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001AF50A14F60, 16 bytes long.
 Data: <xU P&#175;           > 78 55 A1 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001AF50A0E7C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000001AF50A150F0, 16 bytes long.
 Data: <PU P&#175;           > 50 55 A1 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001AF50A0EE20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000001AF50A14E20, 16 bytes long.
 Data: < T P&#175;           > 98 54 A1 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001AF50A14D30, 16 bytes long.
 Data: <pT P&#175;           > 70 54 A1 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001AF50A14920, 16 bytes long.
 Data: <HT P&#175;           > 48 54 A1 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001AF50A15050, 16 bytes long.
 Data: < T P&#175;           > 20 54 A1 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001AF50A148D0, 16 bytes long.
 Data: <&#248;S P&#175;           > F8 53 A1 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001AF50A14880, 16 bytes long.
 Data: <&#208;S P&#175;           > D0 53 A1 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001AF50A144C0, 16 bytes long.
 Data: <&#224;&#207;&#160;P&#175;           > E0 CF A0 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001AF50A0CFE0, 40 bytes long.
 Data: <&#192;D P&#175;    =UR&#175;   > C0 44 A1 50 AF 01 00 00 00 3D 55 52 AF 01 00 00 
{256} normal block at 0x000001AF50A14560, 16 bytes long.
 Data: <&#176;S P&#175;           > B0 53 A1 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001AF50A146A0, 16 bytes long.
 Data: < S P&#175;           > 88 53 A1 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001AF50A0E400, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000001AF50A15140, 16 bytes long.
 Data: <`S P&#175;           > 60 53 A1 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001AF50A15360, 992 bytes long.
 Data: <@Q P&#175;    &#228;&#160;P&#175;   > 40 51 A1 50 AF 01 00 00 00 E4 A0 50 AF 01 00 00 
{88} normal block at 0x000001AF50A0EBE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000001AF50A08730, 16 bytes long.
 Data: < &#207;&#160;P&#175;           > 00 CF A0 50 AF 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001AF50A0CF00, 40 bytes long.
 Data: <0&#135;&#160;P&#175;   &#224;&#235;&#160;P&#175;   > 30 87 A0 50 AF 01 00 00 E0 EB A0 50 AF 01 00 00 
{65} normal block at 0x000001AF50A08910, 16 bytes long.
 Data: < &#234;&#156;&#159;&#246;           > 80 EA 9C 9F F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001AF50A089B0, 16 bytes long.
 Data: <@&#233;&#156;&#159;&#246;           > 40 E9 9C 9F F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001AF50A08370, 16 bytes long.
 Data: <&#248;W &#159;&#246;           > F8 57 99 9F F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001AF50A08320, 16 bytes long.
 Data: <&#216;W &#159;&#246;           > D8 57 99 9F F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001AF50A082D0, 16 bytes long.
 Data: <P  &#159;&#246;           > 50 04 99 9F F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001AF50A08280, 16 bytes long.
 Data: <0  &#159;&#246;           > 30 04 99 9F F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001AF50A08C30, 16 bytes long.
 Data: <&#224;  &#159;&#246;           > E0 02 99 9F F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001AF50A08A00, 16 bytes long.
 Data: <   &#159;&#246;           > 10 04 99 9F F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001AF50A08690, 16 bytes long.
 Data: <p  &#159;&#246;           > 70 04 99 9F F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001AF50A08500, 16 bytes long.
 Data: < &#192;&#151;&#159;&#246;           > 18 C0 97 9F F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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