Task 38697464

Name test_509-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND8824_0
Workunit 31638039
Created 1 Nov 2026, 15:10:44 UTC
Sent 1 Nov 2026, 15:10:46 UTC
Report deadline 6 Nov 2026, 15:10:46 UTC
Received 1 Nov 2026, 17:43:28 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 194 (0x000000C2) EXIT_ABORTED_BY_CLIENT
Computer ID 614448
Run time 2 hours 23 min 20 sec
CPU time 1 hours 43 min 49 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 29,148.19 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 698.75 MB
Peak swap size 3.89 GB
Peak disk usage 3.32 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
Process still present 5 min after writing finish file; aborting</message>
<stderr_txt>
07:18:26 (2228): wrapper (7.9.26016): starting
07:18:30 (2228): 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
07:19:49 (2228): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:20:08 (2228): 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 'D:\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 'D:\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
09:36:01 (2228): C:/Windows/system32/cmd.exe exited; CPU time 6229.187500
09:36:11 (2228): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 18170439 bytes.
Dumping objects ->
{3835227} normal block at 0x00000229A3F54690, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835216} normal block at 0x00000229A3F54620, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x00000229A3F545B0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835194} normal block at 0x00000229A3F54540, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x00000229A3F544D0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835152} normal block at 0x00000229A5B87CA0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835141} normal block at 0x00000229A3FAC3C0, 140 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) : {3835137} normal block at 0x00000229A3F4EC30, 8 bytes long.
 Data: <  &#240;&#163;)   > 00 00 F0 A3 29 02 00 00 
{3834536} normal block at 0x00000229A3FAC2F0, 140 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 0x00000229A3F4F130, 8 bytes long.
 Data: <p7&#190;&#165;)   > 70 37 BE A5 29 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000229A3F50D90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000229A3F46010, 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 0x00000229A3F555C0, 16 bytes long.
 Data: < d&#245;&#163;)           > 98 64 F5 A3 29 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000229A3F55C50, 16 bytes long.
 Data: <pd&#245;&#163;)           > 70 64 F5 A3 29 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000229A3F4FCA0, 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 0x00000229A3F56060, 16 bytes long.
 Data: <Hd&#245;&#163;)           > 48 64 F5 A3 29 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000229A3F56010, 16 bytes long.
 Data: < d&#245;&#163;)           > 20 64 F5 A3 29 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000229A3F559D0, 16 bytes long.
 Data: <&#248;c&#245;&#163;)           > F8 63 F5 A3 29 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000229A3F55520, 16 bytes long.
 Data: <&#208;c&#245;&#163;)           > D0 63 F5 A3 29 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000229A3F54A10, 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 0x00000229A3F55B10, 16 bytes long.
 Data: < &#142;&#244;&#163;)           > 98 8E F4 A3 29 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000229A3F4FE80, 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 0x00000229A3F55DE0, 16 bytes long.
 Data: <p&#142;&#244;&#163;)           > 70 8E F4 A3 29 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000229A3F55FC0, 16 bytes long.
 Data: <H&#142;&#244;&#163;)           > 48 8E F4 A3 29 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000229A3F55430, 16 bytes long.
 Data: < &#142;&#244;&#163;)           > 20 8E F4 A3 29 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000229A3F55F20, 16 bytes long.
 Data: <&#248; &#244;&#163;)           > F8 8D F4 A3 29 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000229A3F557F0, 16 bytes long.
 Data: <&#208; &#244;&#163;)           > D0 8D F4 A3 29 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000229A3F55C00, 16 bytes long.
 Data: <&#168; &#244;&#163;)           > A8 8D F4 A3 29 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000229A3F4FB20, 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 0x00000229A3F55340, 16 bytes long.
 Data: <  &#244;&#163;)           > 80 8D F4 A3 29 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000229A3F48D80, 320 bytes long.
 Data: <@S&#245;&#163;)    &#251;&#244;&#163;)   > 40 53 F5 A3 29 02 00 00 20 FB F4 A3 29 02 00 00 
{274} normal block at 0x00000229A3F55610, 16 bytes long.
 Data: <&#176;c&#245;&#163;)           > B0 63 F5 A3 29 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000229A3F55D90, 16 bytes long.
 Data: < c&#245;&#163;)           > 88 63 F5 A3 29 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000229A3F4FDC0, 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 0x00000229A3F55AC0, 16 bytes long.
 Data: <`c&#245;&#163;)           > 60 63 F5 A3 29 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000229A3F4FAC0, 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 0x00000229A3F55D40, 16 bytes long.
 Data: <&#168;b&#245;&#163;)           > A8 62 F5 A3 29 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000229A3F55930, 16 bytes long.
 Data: < b&#245;&#163;)           > 80 62 F5 A3 29 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000229A3F55F70, 16 bytes long.
 Data: <Xb&#245;&#163;)           > 58 62 F5 A3 29 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000229A3F55ED0, 16 bytes long.
 Data: <0b&#245;&#163;)           > 30 62 F5 A3 29 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000229A3F55980, 16 bytes long.
 Data: < b&#245;&#163;)           > 08 62 F5 A3 29 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000229A3F55CF0, 16 bytes long.
 Data: <&#224;a&#245;&#163;)           > E0 61 F5 A3 29 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000229A3F560B0, 16 bytes long.
 Data: <&#160;I&#245;&#163;)           > A0 49 F5 A3 29 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000229A3F549A0, 40 byt
</stderr_txt>
]]>


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