Task 38698965

Name test_515-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND2744_1
Workunit 31639029
Created 3 Nov 2026, 8:44:32 UTC
Sent 3 Nov 2026, 8:44:34 UTC
Report deadline 8 Nov 2026, 8:44:34 UTC
Received 3 Nov 2026, 11:17:59 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 42 sec
CPU time 1 hours 43 min 8 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 696.79 MB
Peak swap size 3.89 GB
Peak disk usage 3.64 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>
00:52:42 (4972): wrapper (7.9.26016): starting
00:52:51 (4972): 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
00:53:09 (4972): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:53:27 (4972): 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
03:11:19 (4972): C:/Windows/system32/cmd.exe exited; CPU time 6188.968750
03:11:24 (4972): 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: 17658345 bytes.
Dumping objects ->
{3835227} normal block at 0x00000195A7534540, 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 0x00000195A7534A80, 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 0x00000195A7534460, 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 0x00000195A7534620, 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 0x00000195A75349A0, 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 0x00000195A91B3E20, 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 0x00000195A758ADD0, 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 0x00000195A752EBE0, 8 bytes long.
 Data: <  O&#167;&#149;   > 00 00 4F A7 95 01 00 00 
{3834536} normal block at 0x00000195A758BD40, 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 0x00000195A752E780, 8 bytes long.
 Data: <p7!&#169;&#149;   > 70 37 21 A9 95 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000195A7531290, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000195A7526910, 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 0x00000195A75357A0, 16 bytes long.
 Data: < dS&#167;&#149;           > 98 64 53 A7 95 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000195A7535430, 16 bytes long.
 Data: <pdS&#167;&#149;           > 70 64 53 A7 95 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000195A752F880, 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 0x00000195A75356B0, 16 bytes long.
 Data: <HdS&#167;&#149;           > 48 64 53 A7 95 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000195A7535570, 16 bytes long.
 Data: < dS&#167;&#149;           > 20 64 53 A7 95 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000195A7535750, 16 bytes long.
 Data: <&#248;cS&#167;&#149;           > F8 63 53 A7 95 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000195A75352F0, 16 bytes long.
 Data: <&#208;cS&#167;&#149;           > D0 63 53 A7 95 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000195A7534AF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} 
</stderr_txt>
]]>


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