Task 38677805

Name test_497-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND2344_0
Workunit 31619661
Created 26 Oct 2026, 15:28:02 UTC
Sent 26 Oct 2026, 15:28:07 UTC
Report deadline 31 Oct 2026, 15:28:07 UTC
Received 26 Oct 2026, 17:10:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 591854
Run time 1 hours 40 min 30 sec
CPU time 1 hours 30 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,130.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 674.87 MB
Peak swap size 3.69 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:31:16 (66988): wrapper (7.9.26016): starting
08:31:16 (66988): 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
08:31:18 (66988): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:31:18 (66988): 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:\S0_4_Boinc-Ssd_mp_80GB\boinc\slots\5\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:\S0_4_Boinc-Ssd_mp_80GB\boinc\slots\5\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
10:09:49 (66988): C:/Windows/system32/cmd.exe exited; CPU time 5450.640625
10:09:49 (66988): called boinc_finish(0)
0 bytes in 0 Free Blocks.
476 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: 71207193 bytes.
Dumping objects ->
{3835275} normal block at 0x0000020C093FDAF0, 64 bytes long.
 Data: <PATH=D:\S0_4_Boi> 50 41 54 48 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3835264} normal block at 0x0000020C0787B830, 48 bytes long.
 Data: <HOME=D:\S0_4_Boi> 48 4F 4D 45 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3835253} normal block at 0x0000020C0787BAD0, 48 bytes long.
 Data: <TMP=D:\S0_4_Boin> 54 4D 50 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 6E 
{3835242} normal block at 0x0000020C0787BC20, 48 bytes long.
 Data: <TEMP=D:\S0_4_Boi> 54 45 4D 50 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3835231} normal block at 0x0000020C0787B910, 48 bytes long.
 Data: <TMPDIR=D:\S0_4_B> 54 4D 50 44 49 52 3D 44 3A 5C 53 30 5F 34 5F 42 
{3835200} normal block at 0x0000020C093FD8F0, 64 bytes long.
 Data: <PATH=D:\S0_4_Boi> 50 41 54 48 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3835189} normal block at 0x0000020C09412340, 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) : {3835186} normal block at 0x0000020C0784F530, 8 bytes long.
 Data: <        > 00 00 7F 07 0C 02 00 00 
{3834579} normal block at 0x0000020C09411790, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833989} normal block at 0x0000020C0784FBC0, 8 bytes long.
 Data: <&#176; A	    > B0 0F 41 09 0C 02 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x0000020C07854220, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x0000020C0783F9B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{310} normal block at 0x0000020C07857ED0, 16 bytes long.
 Data: <x&#146;&#133;             > 78 92 85 07 0C 02 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x0000020C07858290, 16 bytes long.
 Data: <P&#146;&#133;             > 50 92 85 07 0C 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x0000020C07850310, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{307} normal block at 0x0000020C07858970, 16 bytes long.
 Data: <(&#146;&#133;             > 28 92 85 07 0C 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x0000020C078582E0, 16 bytes long.
 Data: < &#146;&#133;             > 00 92 85 07 0C 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000020C07857F70, 16 bytes long.
 Data: <&#216;&#145;&#133;             > D8 91 85 07 0C 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000020C07858600, 16 bytes long.
 Data: <&#176;&#145;&#133;             > B0 91 85 07 0C 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000020C078530F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{302} normal block at 0x0000020C078589C0, 16 bytes long.
 Data: <H{&#133;             > 48 7B 85 07 0C 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000020C07850910, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{300} normal block at 0x0000020C07858560, 16 bytes long.
 Data: < {&#133;             > 20 7B 85 07 0C 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020C07857E30, 16 bytes long.
 Data: <&#248;z&#133;             > F8 7A 85 07 0C 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000020C078588D0, 16 bytes long.
 Data: <&#208;z&#133;             > D0 7A 85 07 0C 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020C078584C0, 16 bytes long.
 Data: <&#168;z&#133;             > A8 7A 85 07 0C 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020C07858240, 16 bytes long.
 Data: < z&#133;             > 80 7A 85 07 0C 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020C07858100, 16 bytes long.
 Data: <Xz&#133;             > 58 7A 85 07 0C 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020C07850250, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{292} normal block at 0x0000020C07857F20, 16 bytes long.
 Data: <0z&#133;             > 30 7A 85 07 0C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020C07857A30, 320 bytes long.
 Data: <  &#133;     P &#133;     > 20 7F 85 07 0C 02 00 00 50 02 85 07 0C 02 00 00 
{290} normal block at 0x0000020C07858420, 16 bytes long.
 Data: < &#145;&#133;             > 90 91 85 07 0C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020C07858880, 16 bytes long.
 Data: <h&#145;&#133;             > 68 91 85 07 0C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020C07850970, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{287} normal block at 0x0000020C07858AB0, 16 bytes long.
 Data: <@&#145;&#133;             > 40 91 85 07 0C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020C07850730, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{285} normal block at 0x0000020C078580B0, 16 bytes long.
 Data: <  &#133;             > 88 90 85 07 0C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020C07858150, 16 bytes long.
 Data: <` &#133;             > 60 90 85 07 0C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020C07858C90, 16 bytes long.
 Data: <8 &#133;             > 38 90 85 07 0C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020C07858C40, 16 bytes long.
 Data: <  &#133;             > 10 90 85 07 0C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020C07857E80, 16 bytes long.
 Data: <&#232; &#133;             > E8 8F 85 07 0C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020C078586F0, 16 bytes long.
 Data: <&#192; &#133;             > C0 8F 85 07 0C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020C07858060, 16 bytes long.
 Data: < 0&#133;             > 80 30 85 07 0C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020C07853080, 40 bytes long.
 Data: <` &#133;     &#240;&#216;?	    > 60 80 85 07 0C 02 00 00 F0 D8 3F 09 0C 02 00 00 
{276} normal block at 0x0000020C07858A60, 16 bytes long.
 Data: <&#160; &#133;             > A0 8F 85 07 0C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020C078581A0, 16 bytes long.
 Data: <x &#133;             > 78 8F 85 07 0C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020C07850670, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{273} normal block at 0x0000020C07858010, 16 bytes long.
 Data: <P &#133;             > 50 8F 85 07 0C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020C07858F50, 992 bytes long.
 Data: <  &#133;     p &#133;     > 10 80 85 07 0C 02 00 00 70 06 85 07 0C 02 00 00 
{108} normal block at 0x0000020C078505B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{107} normal block at 0x0000020C0784FF80, 16 bytes long.
 Data: <&#208;1&#133;             > D0 31 85 07 0C 02 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x0000020C078531D0, 40 bytes long.
 Data: < &#255;&#132;     &#176; &#133;     > 80 FF 84 07 0C 02 00 00 B0 05 85 07 0C 02 00 00 
{85} normal block at 0x0000020C0784F260, 16 bytes long.
 Data: < &#234;&#195;V&#247;           > 80 EA C3 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000020C0784FDA0, 16 bytes long.
 Data: <@&#233;&#195;V&#247;           > 40 E9 C3 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x0000020C0784F580, 16 bytes long.
 Data: <&#248;W&#192;V&#247;           > F8 57 C0 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000020C0784F210, 16 bytes long.
 Data: <&#216;W&#192;V&#247;           > D8 57 C0 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x0000020C0784F2B0, 16 bytes long.
 Data: <P &#192;V&#247;           > 50 04 C0 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x0000020C0784F9E0, 16 bytes long.
 Data: <0 &#192;V&#247;           > 30 04 C0 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000020C0784F1C0, 16 bytes long.
 Data: <&#224; &#192;V&#247;           > E0 02 C0 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000020C0784F120, 16 bytes long.
 Data: <  &#192;V&#247;           > 10 04 C0 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000020C0784F3A0, 16 bytes long.
 Data: <p &#192;V&#247;           > 70 04 C0 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000020C0784F4E0, 16 bytes long.
 Data: < &#192;&#190;V&#247;           > 18 C0 BE 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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