Task 38668351

Name test_151-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND9594_0
Workunit 31610887
Created 25 Oct 2026, 11:29:42 UTC
Sent 25 Oct 2026, 11:29:54 UTC
Report deadline 30 Oct 2026, 11:29:54 UTC
Received 25 Oct 2026, 12:24:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627058
Run time 29 min 4 sec
CPU time 27 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 14,795.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 759.74 MB
Peak swap size 12.96 GB
Peak disk usage 3.76 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
12:54:18 (25140): wrapper (7.9.26016): starting
12:54:18 (25140): 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
12:54:19 (25140): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:54:19 (25140): 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\51\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\51\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
13:22:48 (25140): C:/Windows/system32/cmd.exe exited; CPU time 1657.390625
13:22:48 (25140): 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: 31571189 bytes.
Dumping objects ->
{3839861} normal block at 0x00000289715742F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3839850} normal block at 0x0000028971574210, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3839839} normal block at 0x0000028971573950, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3839828} normal block at 0x0000028971573FE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3839817} normal block at 0x0000028971573720, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3839786} normal block at 0x0000028973280CF0, 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) : {3839773} normal block at 0x0000028971522050, 8 bytes long.
 Data: <  &#169;q&#137;   > 00 00 A9 71 89 02 00 00 
{3838304} normal block at 0x0000028971521C40, 8 bytes long.
 Data: <Pg_q&#137;   > 50 67 5F 71 89 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002897151CFB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000028971515A60, 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 0x000002897152A070, 16 bytes long.
 Data: <X&#169;Rq&#137;           > 58 A9 52 71 89 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000028971529CB0, 16 bytes long.
 Data: <0&#169;Rq&#137;           > 30 A9 52 71 89 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000028971523E40, 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 0x000002897152A250, 16 bytes long.
 Data: < &#169;Rq&#137;           > 08 A9 52 71 89 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000028971529E90, 16 bytes long.
 Data: <&#224;&#168;Rq&#137;           > E0 A8 52 71 89 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002897152A340, 16 bytes long.
 Data: <&#184;&#168;Rq&#137;           > B8 A8 52 71 89 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000028971529A30, 16 bytes long.
 Data: < &#168;Rq&#137;           > 90 A8 52 71 89 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000289715251B0, 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 0x000002897152A020, 16 bytes long.
 Data: <h6Qq&#137;           > 68 36 51 71 89 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000028971523900, 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 0x00000289715299E0, 16 bytes long.
 Data: <@6Qq&#137;           > 40 36 51 71 89 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000028971529990, 16 bytes long.
 Data: < 6Qq&#137;           > 18 36 51 71 89 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000028971529850, 16 bytes long.
 Data: <&#240;5Qq&#137;           > F0 35 51 71 89 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000028971529940, 16 bytes long.
 Data: <&#200;5Qq&#137;           > C8 35 51 71 89 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000028971529E40, 16 bytes long.
 Data: <&#160;5Qq&#137;           > A0 35 51 71 89 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002897152A2F0, 16 bytes long.
 Data: <x5Qq&#137;           > 78 35 51 71 89 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000028971523BA0, 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 0x000002897152A0C0, 16 bytes long.
 Data: <P5Qq&#137;           > 50 35 51 71 89 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000028971513550, 320 bytes long.
 Data: <&#192;&#160;Rq&#137;   &#160;;Rq&#137;   > C0 A0 52 71 89 02 00 00 A0 3B 52 71 89 02 00 00 
{279} normal block at 0x000002897152A200, 16 bytes long.
 Data: <p&#168;Rq&#137;           > 70 A8 52 71 89 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002897152A1B0, 16 bytes long.
 Data: <H&#168;Rq&#137;           > 48 A8 52 71 89 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000028971523D80, 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 0x0000028971529FD0, 16 bytes long.
 Data: < &#168;Rq&#137;           > 20 A8 52 71 89 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000028971523A80, 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 0x000002897152A160, 16 bytes long.
 Data: <h&#167;Rq&#137;           > 68 A7 52 71 89 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000028971529F80, 16 bytes long.
 Data: <@&#167;Rq&#137;           > 40 A7 52 71 89 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000028971529800, 16 bytes long.
 Data: < &#167;Rq&#137;           > 18 A7 52 71 89 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000028971529670, 16 bytes long.
 Data: <&#240;&#166;Rq&#137;           > F0 A6 52 71 89 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000028971529C60, 16 bytes long.
 Data: <&#200;&#166;Rq&#137;           > C8 A6 52 71 89 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000028971529AD0, 16 bytes long.
 Data: <&#160;&#166;Rq&#137;           > A0 A6 52 71 89 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002897152A570, 16 bytes long.
 Data: <&#224;SRq&#137;           > E0 53 52 71 89 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000289715253E0, 40 bytes long.
 Data: <p&#165;Rq&#137;   &#240; (s&#137;   > 70 A5 52 71 89 02 00 00 F0 0C 28 73 89 02 00 00 
{265} normal block at 0x0000028971529BC0, 16 bytes long.
 Data: < &#166;Rq&#137;           > 80 A6 52 71 89 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002897152A3E0, 16 bytes long.
 Data: <X&#166;Rq&#137;           > 58 A6 52 71 89 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000028971523CC0, 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 0x000002897152A2A0, 16 bytes long.
 Data: <0&#166;Rq&#137;           > 30 A6 52 71 89 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002897152A630, 992 bytes long.
 Data: <&#160;&#162;Rq&#137;   &#192;<Rq&#137;   > A0 A2 52 71 89 02 00 00 C0 3C 52 71 89 02 00 00 
{97} normal block at 0x00000289715233C0, 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 0x0000028971521BF0, 16 bytes long.
 Data: <&#192;MRq&#137;           > C0 4D 52 71 89 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000028971524DC0, 40 bytes long.
 Data: <&#240; Rq&#137;   &#192;3Rq&#137;   > F0 1B 52 71 89 02 00 00 C0 33 52 71 89 02 00 00 
{74} normal block at 0x0000028971521790, 16 bytes long.
 Data: < &#234;&#151; &#247;           > 80 EA 97 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000028971521AB0, 16 bytes long.
 Data: <@&#233;&#151; &#247;           > 40 E9 97 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000028971522500, 16 bytes long.
 Data: <&#248;W&#148; &#247;           > F8 57 94 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000028971521830, 16 bytes long.
 Data: <&#216;W&#148; &#247;           > D8 57 94 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000289715220F0, 16 bytes long.
 Data: <P &#148; &#247;           > 50 04 94 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000028971522370, 16 bytes long.
 Data: <0 &#148; &#247;           > 30 04 94 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000289715219C0, 16 bytes long.
 Data: <&#224; &#148; &#247;           > E0 02 94 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000028971521B00, 16 bytes long.
 Data: <  &#148; &#247;           > 10 04 94 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000028971521D30, 16 bytes long.
 Data: <p &#148; &#247;           > 70 04 94 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000028971521A60, 16 bytes long.
 Data: < &#192;&#146; &#247;           > 18 C0 92 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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