Task 38679768

Name test_408-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND6092_0
Workunit 31621531
Created 26 Oct 2026, 21:42:10 UTC
Sent 26 Oct 2026, 21:42:17 UTC
Report deadline 31 Oct 2026, 21:42:17 UTC
Received 26 Oct 2026, 22:10:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654804
Run time 21 min 17 sec
CPU time 21 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,599.15 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 714.54 MB
Peak swap size 6.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
17:45:37 (9744): wrapper (7.9.26016): starting
17:45:37 (9744): 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
17:45:38 (9744): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:45:38 (9744): 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\0\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\0\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
18:07:54 (9744): C:/Windows/system32/cmd.exe exited; CPU time 1274.859375
18:07:54 (9744): 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: 25819299 bytes.
Dumping objects ->
{3835256} normal block at 0x0000028957DA1730, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x0000028957DA1500, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x0000028957DA11F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835223} normal block at 0x0000028957DA1340, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x0000028957DA0AF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835181} normal block at 0x0000028957D97740, 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) : {3835168} normal block at 0x0000028957D9D7C0, 8 bytes long.
 Data: <  &#210;W&#137;   > 00 00 D2 57 89 02 00 00 
{3833967} normal block at 0x0000028957D9D1D0, 8 bytes long.
 Data: < &#223;&#180;Y&#137;   > 10 DF B4 59 89 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000028957D64680, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000028957D4CEE0, 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 0x0000028957DA36D0, 16 bytes long.
 Data: < A&#218;W&#137;           > 98 41 DA 57 89 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000028957DA3810, 16 bytes long.
 Data: <pA&#218;W&#137;           > 70 41 DA 57 89 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000028957D96230, 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 0x0000028957DA3680, 16 bytes long.
 Data: <HA&#218;W&#137;           > 48 41 DA 57 89 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000028957DA3CC0, 16 bytes long.
 Data: < A&#218;W&#137;           > 20 41 DA 57 89 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000028957DA3630, 16 bytes long.
 Data: <&#248;@&#218;W&#137;           > F8 40 DA 57 89 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000028957DA3090, 16 bytes long.
 Data: <&#208;@&#218;W&#137;           > D0 40 DA 57 89 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000028957DA1810, 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 0x0000028957DA35E0, 16 bytes long.
 Data: < +&#218;W&#137;           > 98 2B DA 57 89 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000028957D961D0, 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 0x0000028957DA32C0, 16 bytes long.
 Data: <p+&#218;W&#137;           > 70 2B DA 57 89 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000028957DA34F0, 16 bytes long.
 Data: <H+&#218;W&#137;           > 48 2B DA 57 89 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000028957DA3D60, 16 bytes long.
 Data: < +&#218;W&#137;           > 20 2B DA 57 89 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000028957DA3590, 16 bytes long.
 Data: <&#248;*&#218;W&#137;           > F8 2A DA 57 89 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000028957DA3950, 16 bytes long.
 Data: <&#208;*&#218;W&#137;           > D0 2A DA 57 89 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000028957DA2FF0, 16 bytes long.
 Data: <&#168;*&#218;W&#137;           > A8 2A DA 57 89 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000028957D96CB0, 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 0x0000028957DA3270, 16 bytes long.
 Data: < *&#218;W&#137;           > 80 2A DA 57 89 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000028957DA2A80, 320 bytes long.
 Data: <p2&#218;W&#137;   &#176;l&#217;W&#137;   > 70 32 DA 57 89 02 00 00 B0 6C D9 57 89 02 00 00 
{279} normal block at 0x0000028957DA2F00, 16 bytes long.
 Data: <&#176;@&#218;W&#137;           > B0 40 DA 57 89 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000028957DA39A0, 16 bytes long.
 Data: < @&#218;W&#137;           > 88 40 DA 57 89 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000028957D96B30, 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 0x0000028957DA34A0, 16 bytes long.
 Data: <`@&#218;W&#137;           > 60 40 DA 57 89 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000028957D968F0, 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 0x0000028957DA3310, 16 bytes long.
 Data: <&#168;?&#218;W&#137;           > A8 3F DA 57 89 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000028957DA2FA0, 16 bytes long.
 Data: < ?&#218;W&#137;           > 80 3F DA 57 89 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000028957DA30E0, 16 bytes long.
 Data: <X?&#218;W&#137;           > 58 3F DA 57 89 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000028957DA3220, 16 bytes long.
 Data: <0?&#218;W&#137;           > 30 3F DA 57 89 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000028957DA3360, 16 bytes long.
 Data: < ?&#218;W&#137;           > 08 3F DA 57 89 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000028957DA2EB0, 16 bytes long.
 Data: <&#224;>&#218;W&#137;           > E0 3E DA 57 89 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000028957DA3B30, 16 bytes long.
 Data: <0 &#218;W&#137;           > 30 10 DA 57 89 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000028957DA1030, 40 bytes long.
 Data: <0;&#218;W&#137;   @w&#217;W&#137;   > 30 3B DA 57 89 02 00 00 40 77 D9 57 89 02 00 00 
{265} normal block at 0x0000028957DA3540, 16 bytes long.
 Data: <&#192;>&#218;W&#137;           > C0 3E DA 57 89 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000028957DA3040, 16 bytes long.
 Data: < >&#218;W&#137;           > 98 3E DA 57 89 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000028957D96710, 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 0x0000028957DA3C70, 16 bytes long.
 Data: <p>&#218;W&#137;           > 70 3E DA 57 89 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000028957DA3E70, 992 bytes long.
 Data: <p<&#218;W&#137;    g&#217;W&#137;   > 70 3C DA 57 89 02 00 00 10 67 D9 57 89 02 00 00 
{97} normal block at 0x0000028957D96170, 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 0x0000028957D9CC30, 16 bytes long.
 Data: <  &#218;W&#137;           > 80 18 DA 57 89 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000028957DA1880, 40 bytes long.
 Data: <0&#204;&#217;W&#137;   pa&#217;W&#137;   > 30 CC D9 57 89 02 00 00 70 61 D9 57 89 02 00 00 
{74} normal block at 0x0000028957D9CDC0, 16 bytes long.
 Data: < &#234;&#167;U&#247;           > 80 EA A7 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000028957D9D4F0, 16 bytes long.
 Data: <@&#233;&#167;U&#247;           > 40 E9 A7 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000028957D9D8B0, 16 bytes long.
 Data: <&#248;W&#164;U&#247;           > F8 57 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000028957D9D180, 16 bytes long.
 Data: <&#216;W&#164;U&#247;           > D8 57 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000028957D9D9A0, 16 bytes long.
 Data: <P &#164;U&#247;           > 50 04 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000028957D9D720, 16 bytes long.
 Data: <0 &#164;U&#247;           > 30 04 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000028957D9D900, 16 bytes long.
 Data: <&#224; &#164;U&#247;           > E0 02 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000028957D9D0E0, 16 bytes long.
 Data: <  &#164;U&#247;           > 10 04 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000028957D9D040, 16 bytes long.
 Data: <p &#164;U&#247;           > 70 04 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000028957D9D090, 16 bytes long.
 Data: < &#192;&#162;U&#247;           > 18 C0 A2 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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