Task 38681681

Name test_794-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND6563_0
Workunit 31623337
Created 27 Oct 2026, 4:55:48 UTC
Sent 27 Oct 2026, 4:55:50 UTC
Report deadline 1 Nov 2026, 4:55:50 UTC
Received 27 Oct 2026, 5:44:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649780
Run time 38 min 31 sec
CPU time 36 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,999.78 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.09 MB
Peak swap size 9.91 GB
Peak disk usage 4.05 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:06:39 (15540): wrapper (7.9.26016): starting
01:06:39 (15540): 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
01:06:40 (15540): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:06:40 (15540): 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\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 'C:\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
01:44:23 (15540): C:/Windows/system32/cmd.exe exited; CPU time 2204.328125
01:44:23 (15540): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 34688975 bytes.
Dumping objects ->
{3835479} normal block at 0x0000019521574BF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x0000019521574B80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x00000195215749C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835446} normal block at 0x0000019521574950, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835435} normal block at 0x00000195215748E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835404} normal block at 0x00000195231F9110, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835393} normal block at 0x000001952320DB70, 102 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) : {3835390} normal block at 0x000001952156FEF0, 8 bytes long.
 Data: <  Q!&#149;   > 00 00 51 21 95 01 00 00 
{3834663} normal block at 0x000001952320E930, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x000001952156FAE0, 8 bytes long.
 Data: <P&#214; #&#149;   > 50 D6 20 23 95 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000019521570C30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000019521566170, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000019521576140, 16 bytes long.
 Data: <&#184;TW!&#149;           > B8 54 57 21 95 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000019521575FB0, 16 bytes long.
 Data: < TW!&#149;           > 90 54 57 21 95 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001952156E330, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000019521576550, 16 bytes long.
 Data: <hTW!&#149;           > 68 54 57 21 95 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000195215757E0, 16 bytes long.
 Data: <@TW!&#149;           > 40 54 57 21 95 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000019521575970, 16 bytes long.
 Data: < TW!&#149;           > 18 54 57 21 95 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000019521575A60, 16 bytes long.
 Data: <&#240;SW!&#149;           > F0 53 57 21 95 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000019521574640, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x00000195215760F0, 16 bytes long.
 Data: <&#184; V!&#149;           > B8 8D 56 21 95 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001952156E450, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000019521576050, 16 bytes long.
 Data: <  V!&#149;           > 90 8D 56 21 95 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000019521575B50, 16 bytes long.
 Data: <h V!&#149;           > 68 8D 56 21 95 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000195215756F0, 16 bytes long.
 Data: <@ V!&#149;           > 40 8D 56 21 95 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000019521575920, 16 bytes long.
 Data: <  V!&#149;           > 18 8D 56 21 95 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000019521575AB0, 16 bytes long.
 Data: <&#240;&#140;V!&#149;           > F0 8C 56 21 95 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000195215758D0, 16 bytes long.
 Data: <&#200;&#140;V!&#149;           > C8 8C 56 21 95 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001952156EED0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{274} normal block at 0x0000019521575880, 16 bytes long.
 Data: <&#160;&#140;V!&#149;           > A0 8C 56 21 95 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000019521568CA0, 320 bytes long.
 Data: < XW!&#149;   &#208;&#238;V!&#149;   > 80 58 57 21 95 01 00 00 D0 EE 56 21 95 01 00 00 
{272} normal block at 0x0000019521575F60, 16 bytes long.
 Data: <&#208;SW!&#149;           > D0 53 57 21 95 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000019521575600, 16 bytes long.
 Data: <&#168;SW!&#149;           > A8 53 57 21 95 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001952156E270, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000019521575E70, 16 bytes long.
 Data: < SW!&#149;           > 80 53 57 21 95 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001952156EB70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x00000195215760A0, 16 bytes long.
 Data: <&#200;RW!&#149;           > C8 52 57 21 95 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000019521575830, 16 bytes long.
 Data: <&#160;RW!&#149;           > A0 52 57 21 95 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000019521575E20, 16 bytes long.
 Data: <xRW!&#149;           > 78 52 57 21 95 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000019521575BA0, 16 bytes long.
 Data: <PRW!&#149;           > 50 52 57 21 95 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000195215700D0, 16 bytes long.
 Data: <(RW!&#149;           > 28 52 57 21 95 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001952156F310, 16 bytes long.
 Data: < RW!&#149;           > 00 52 57 21 95 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000019521570080, 16 bytes long.
 Data: <0JW!&#149;           > 30 4A 57 21 95 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000019521574A30, 40 bytes long.
 Data: <  W!&#149;    &#145; #&#149;   > 80 00 57 21 95 01 00 00 10 91 1F 23 95 01 00 00 
{258} normal block at 0x000001952156FD10, 16 bytes long.
 Data: <&#224;QW!&#149;           > E0 51 57 21 95 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001952156FB30, 16 bytes long.
 Data: <&#184;QW!&#149;           > B8 51 57 21 95 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001952156E930, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000001952156FA90, 16 bytes long.
 Data: < QW!&#149;           > 90 51 57 21 95 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000019521575190, 992 bytes long.
 Data: < &#250;V!&#149;   0&#233;V!&#149;   > 90 FA 56 21 95 01 00 00 30 E9 56 21 95 01 00 00 
{90} normal block at 0x000001952156E690, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000001952156F5E0, 16 bytes long.
 Data: < &#237;U!&#149;           > 20 ED 55 21 95 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001952155ED20, 40 bytes long.
 Data: <&#224;&#245;V!&#149;    &#230;V!&#149;   > E0 F5 56 21 95 01 00 00 90 E6 56 21 95 01 00 00 
{67} normal block at 0x000001952156F810, 16 bytes long.
 Data: < &#234;+&#214;&#247;           > 80 EA 2B D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001952156FCC0, 16 bytes long.
 Data: <@&#233;+&#214;&#247;           > 40 E9 2B D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001952156FB80, 16 bytes long.
 Data: <&#248;W(&#214;&#247;           > F8 57 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000019521570170, 16 bytes long.
 Data: <&#216;W(&#214;&#247;           > D8 57 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000019521570120, 16 bytes long.
 Data: <P (&#214;&#247;           > 50 04 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001952156F3B0, 16 bytes long.
 Data: <0 (&#214;&#247;           > 30 04 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001952156F590, 16 bytes long.
 Data: <&#224; (&#214;&#247;           > E0 02 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001952156F630, 16 bytes long.
 Data: <  (&#214;&#247;           > 10 04 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001952156F720, 16 bytes long.
 Data: <p (&#214;&#247;           > 70 04 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001952156F540, 16 bytes long.
 Data: < &#192;&&#214;&#247;           > 18 C0 26 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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