Task 38685935

Name test_684-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND1343_0
Workunit 31627388
Created 27 Oct 2026, 23:46:11 UTC
Sent 27 Oct 2026, 23:46:18 UTC
Report deadline 1 Nov 2026, 23:46:18 UTC
Received 28 Oct 2026, 2:03:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 650214
Run time 1 hours 2 min 16 sec
CPU time 1 hours 2 min 16 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 705.18 MB
Peak swap size 11.48 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
01:57:10 (10780): wrapper (7.9.26016): starting
01:57:10 (10780): 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
01:57:12 (10780): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:57:12 (10780): 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\28\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\28\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
03:02:37 (10780): C:/Windows/system32/cmd.exe exited; CPU time 3736.515625
03:02:37 (10780): 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: 58586051 bytes.
Dumping objects ->
{3835271} normal block at 0x0000020C75336A20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835260} normal block at 0x0000020C75337430, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835249} normal block at 0x0000020C75336CC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835238} normal block at 0x0000020C753369B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x0000020C75337740, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835196} normal block at 0x0000020C752DBC90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x0000020C7533CF70, 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) : {3835182} normal block at 0x0000020C736A6440, 8 bytes long.
 Data: <  hs    > 00 00 68 73 0C 02 00 00 
{3834555} normal block at 0x0000020C7533D020, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x0000020C736A6C60, 8 bytes long.
 Data: < x<u    > 00 78 3C 75 0C 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000020C736B11A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020C7369AE10, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x0000020C736B23C0, 16 bytes long.
 Data: < 6ks            > 98 36 6B 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020C736B2370, 16 bytes long.
 Data: <p6ks            > 70 36 6B 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020C736AC830, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x0000020C736B26E0, 16 bytes long.
 Data: <H6ks            > 48 36 6B 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020C736B2C30, 16 bytes long.
 Data: < 6ks            > 20 36 6B 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020C736B2A00, 16 bytes long.
 Data: <&#248;5ks            > F8 35 6B 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020C736B22D0, 16 bytes long.
 Data: <&#208;5ks            > D0 35 6B 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020C736AB460, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x0000020C736B2230, 16 bytes long.
 Data: <&#200;&#196;js            > C8 C4 6A 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020C736AD250, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x0000020C736B2000, 16 bytes long.
 Data: <&#160;&#196;js            > A0 C4 6A 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020C736B2280, 16 bytes long.
 Data: <x&#196;js            > 78 C4 6A 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020C736B2320, 16 bytes long.
 Data: <P&#196;js            > 50 C4 6A 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020C736B2910, 16 bytes long.
 Data: <(&#196;js            > 28 C4 6A 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020C736B2730, 16 bytes long.
 Data: < &#196;js            > 00 C4 6A 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020C736B2460, 16 bytes long.
 Data: <&#216;&#195;js            > D8 C3 6A 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020C736ACE30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x0000020C736B1FB0, 16 bytes long.
 Data: <&#176;&#195;js            > B0 C3 6A 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020C736AC3B0, 320 bytes long.
 Data: <&#176; ks    0&#206;js    > B0 1F 6B 73 0C 02 00 00 30 CE 6A 73 0C 02 00 00 
{269} normal block at 0x0000020C736B20F0, 16 bytes long.
 Data: <&#176;5ks            > B0 35 6B 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020C736B2820, 16 bytes long.
 Data: < 5ks            > 88 35 6B 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020C736AC7D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x0000020C736B2410, 16 bytes long.
 Data: <`5ks            > 60 35 6B 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020C736AD4F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x0000020C736B2050, 16 bytes long.
 Data: <&#168;4ks            > A8 34 6B 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020C736B28C0, 16 bytes long.
 Data: < 4ks            > 80 34 6B 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020C736B2B90, 16 bytes long.
 Data: <X4ks            > 58 34 6B 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020C736B2BE0, 16 bytes long.
 Data: <04ks            > 30 34 6B 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020C736B2870, 16 bytes long.
 Data: < 4ks            > 08 34 6B 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020C736B2690, 16 bytes long.
 Data: <&#224;3ks            > E0 33 6B 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020C736B2140, 16 bytes long.
 Data: <0&#178;js            > 30 B2 6A 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020C736AB230, 40 bytes long.
 Data: <@!ks     &#188;-u    > 40 21 6B 73 0C 02 00 00 90 BC 2D 75 0C 02 00 00 
{255} normal block at 0x0000020C736B2E60, 16 bytes long.
 Data: <&#192;3ks            > C0 33 6B 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000020C736B25A0, 16 bytes long.
 Data: < 3ks            > 98 33 6B 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000020C736AD130, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x0000020C736B24B0, 16 bytes long.
 Data: <p3ks            > 70 33 6B 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000020C736B3370, 992 bytes long.
 Data: <&#176;$ks    0&#209;js    > B0 24 6B 73 0C 02 00 00 30 D1 6A 73 0C 02 00 00 
{87} normal block at 0x0000020C736AC6B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x0000020C736A6AD0, 16 bytes long.
 Data: < &#182;js            > 90 B6 6A 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000020C736AB690, 40 bytes long.
 Data: <&#208;jjs    &#176;&#198;js    > D0 6A 6A 73 0C 02 00 00 B0 C6 6A 73 0C 02 00 00 
{64} normal block at 0x0000020C736A6710, 16 bytes long.
 Data: < &#234;&#249;&#249;&#247;           > 80 EA F9 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020C736A69E0, 16 bytes long.
 Data: <@&#233;&#249;&#249;&#247;           > 40 E9 F9 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020C736A72A0, 16 bytes long.
 Data: <&#248;W&#246;&#249;&#247;           > F8 57 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020C736A6490, 16 bytes long.
 Data: <&#216;W&#246;&#249;&#247;           > D8 57 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020C736A63A0, 16 bytes long.
 Data: <P &#246;&#249;&#247;           > 50 04 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020C736A6350, 16 bytes long.
 Data: <0 &#246;&#249;&#247;           > 30 04 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020C736A6990, 16 bytes long.
 Data: <&#224; &#246;&#249;&#247;           > E0 02 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020C736A6F80, 16 bytes long.
 Data: <  &#246;&#249;&#247;           > 10 04 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000020C736A66C0, 16 bytes long.
 Data: <p &#246;&#249;&#247;           > 70 04 F6 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000020C736A6DA0, 16 bytes long.
 Data: < &#192;&#244;&#249;&#247;           > 18 C0 F4 F9 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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