Task 38654970

Name test_212-GPUGRID_TEST_ATM_4STEP_20261023-2-4-RND3818_0
Workunit 31598753
Created 24 Oct 2026, 8:11:40 UTC
Sent 24 Oct 2026, 8:12:04 UTC
Report deadline 29 Oct 2026, 8:12:04 UTC
Received 24 Oct 2026, 9:32:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 624957
Run time 1 hours 0 min 38 sec
CPU time 58 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,878.75 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 705.63 MB
Peak swap size 6.84 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:14:47 (28604): wrapper (7.9.26016): starting
03:14:47 (28604): 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
03:14:48 (28604): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:14:48 (28604): 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\17\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\17\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
04:13:54 (28604): C:/Windows/system32/cmd.exe exited; CPU time 3491.781250
04:13:54 (28604): 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: 68013741 bytes.
Dumping objects ->
{3835204} normal block at 0x000001692D46D3B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835193} normal block at 0x000001692B7647B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x000001692B764890, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835171} normal block at 0x000001692B764CF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835160} normal block at 0x000001692B764EB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835129} normal block at 0x000001692D4B8B00, 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) : {3835116} normal block at 0x000001692B75F180, 8 bytes long.
 Data: <  &#192;+i   > 00 00 C0 2B 69 01 00 00 
{3833967} normal block at 0x000001692B75EB40, 8 bytes long.
 Data: <&#160;YQ-i   > A0 59 51 2D 69 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001692B760890, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001692B7562F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000001692B7657D0, 16 bytes long.
 Data: <&#168;fv+i           > A8 66 76 2B 69 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001692B765780, 16 bytes long.
 Data: < fv+i           > 80 66 76 2B 69 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001692B760060, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000001692B766090, 16 bytes long.
 Data: <Xfv+i           > 58 66 76 2B 69 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001692B765500, 16 bytes long.
 Data: <0fv+i           > 30 66 76 2B 69 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001692B765AF0, 16 bytes long.
 Data: < fv+i           > 08 66 76 2B 69 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001692B765690, 16 bytes long.
 Data: <&#224;ev+i           > E0 65 76 2B 69 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001692B764C10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000001692B766270, 16 bytes long.
 Data: <8&#231;u+i           > 38 E7 75 2B 69 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001692B75FA00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000001692B765EB0, 16 bytes long.
 Data: < &#231;u+i           > 10 E7 75 2B 69 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001692B765A50, 16 bytes long.
 Data: <&#232;&#230;u+i           > E8 E6 75 2B 69 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001692B765460, 16 bytes long.
 Data: <&#192;&#230;u+i           > C0 E6 75 2B 69 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001692B765CD0, 16 bytes long.
 Data: < &#230;u+i           > 98 E6 75 2B 69 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001692B765D70, 16 bytes long.
 Data: <p&#230;u+i           > 70 E6 75 2B 69 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001692B765E60, 16 bytes long.
 Data: <H&#230;u+i           > 48 E6 75 2B 69 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001692B760420, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000001692B765FA0, 16 bytes long.
 Data: < &#230;u+i           > 20 E6 75 2B 69 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001692B75E620, 320 bytes long.
 Data: <&#160;_v+i     v+i   > A0 5F 76 2B 69 01 00 00 20 04 76 2B 69 01 00 00 
{279} normal block at 0x000001692B766040, 16 bytes long.
 Data: <&#192;ev+i           > C0 65 76 2B 69 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001692B765C80, 16 bytes long.
 Data: < ev+i           > 98 65 76 2B 69 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001692B760000, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000001692B765C30, 16 bytes long.
 Data: <pev+i           > 70 65 76 2B 69 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001692B75F8E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000001692B7658C0, 16 bytes long.
 Data: <&#184;dv+i           > B8 64 76 2B 69 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001692B765D20, 16 bytes long.
 Data: < dv+i           > 90 64 76 2B 69 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001692B766180, 16 bytes long.
 Data: <hdv+i           > 68 64 76 2B 69 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001692B765AA0, 16 bytes long.
 Data: <@dv+i           > 40 64 76 2B 69 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001692B7654B0, 16 bytes long.
 Data: < dv+i           > 18 64 76 2B 69 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001692B765F00, 16 bytes long.
 Data: <&#240;cv+i           > F0 63 76 2B 69 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001692B765730, 16 bytes long.
 Data: < Iv+i           > 00 49 76 2B 69 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001692B764900, 40 bytes long.
 Data: <0Wv+i    &#139;K-i   > 30 57 76 2B 69 01 00 00 00 8B 4B 2D 69 01 00 00 
{265} normal block at 0x000001692B765E10, 16 bytes long.
 Data: <&#208;cv+i           > D0 63 76 2B 69 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001692B765FF0, 16 bytes long.
 Data: <&#168;cv+i           > A8 63 76 2B 69 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001692B75FEE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000001692B766310, 16 bytes long.
 Data: < cv+i           > 80 63 76 2B 69 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001692B766380, 992 bytes long.
 Data: < cv+i   &#224;&#254;u+i   > 10 63 76 2B 69 01 00 00 E0 FE 75 2B 69 01 00 00 
{97} normal block at 0x000001692B75FD00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000001692B75F6D0, 16 bytes long.
 Data: <`&#194;t+i           > 60 C2 74 2B 69 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001692B74C260, 40 bytes long.
 Data: <&#208;&#246;u+i    &#253;u+i   > D0 F6 75 2B 69 01 00 00 00 FD 75 2B 69 01 00 00 
{74} normal block at 0x000001692B75F4A0, 16 bytes long.
 Data: < &#234;&#229;t&#246;           > 80 EA E5 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001692B75F1D0, 16 bytes long.
 Data: <@&#233;&#229;t&#246;           > 40 E9 E5 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001692B75F220, 16 bytes long.
 Data: <&#248;W&#226;t&#246;           > F8 57 E2 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001692B75F630, 16 bytes long.
 Data: <&#216;W&#226;t&#246;           > D8 57 E2 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001692B75EC80, 16 bytes long.
 Data: <P &#226;t&#246;           > 50 04 E2 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001692B75F7C0, 16 bytes long.
 Data: <0 &#226;t&#246;           > 30 04 E2 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001692B75EAA0, 16 bytes long.
 Data: <&#224; &#226;t&#246;           > E0 02 E2 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001692B75EA00, 16 bytes long.
 Data: <  &#226;t&#246;           > 10 04 E2 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001692B75F590, 16 bytes long.
 Data: <p &#226;t&#246;           > 70 04 E2 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001692B75E960, 16 bytes long.
 Data: < &#192;&#224;t&#246;           > 18 C0 E0 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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