Task 38691637

Name test_983-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND7478_1
Workunit 31604597
Created 29 Oct 2026, 15:21:51 UTC
Sent 29 Oct 2026, 15:21:57 UTC
Report deadline 3 Nov 2026, 15:21:57 UTC
Received 29 Oct 2026, 17:49:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 596137
Run time 1 hours 18 min 14 sec
CPU time 1 hours 13 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,670.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 701.33 MB
Peak swap size 3.87 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
17:32:18 (509164): wrapper (7.9.26016): starting
17:32:18 (509164): 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
17:32:22 (509164): Library/usr/bin/tar.exe exited; CPU time 0.046875
17:32:22 (509164): 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
18:48:31 (509164): C:/Windows/system32/cmd.exe exited; CPU time 4391.750000
18:48:31 (509164): 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: 54728197 bytes.
Dumping objects ->
{3835420} normal block at 0x0000025DA36A5E60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835409} normal block at 0x0000025DA36A5DF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835398} normal block at 0x0000025DA36A5AE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835387} normal block at 0x0000025DA36A5F40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835376} normal block at 0x0000025DA19EB1A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835345} normal block at 0x0000025DA35BAFD0, 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) : {3835332} normal block at 0x0000025DA19E69B0, 8 bytes long.
 Data: <  I&#163;]   > 00 00 49 A3 5D 02 00 00 
{3833953} normal block at 0x0000025DA19E6960, 8 bytes long.
 Data: <&#224;Gj&#163;]   > E0 47 6A A3 5D 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000025DA19F1050, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000025DA19DAD90, 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 0x0000025DA19F2C20, 16 bytes long.
 Data: < 6&#159; ]           > 88 36 9F A1 5D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000025DA19F2EA0, 16 bytes long.
 Data: <`6&#159; ]           > 60 36 9F A1 5D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025DA19EC980, 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 0x0000025DA19F26D0, 16 bytes long.
 Data: <86&#159; ]           > 38 36 9F A1 5D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000025DA19F29A0, 16 bytes long.
 Data: < 6&#159; ]           > 10 36 9F A1 5D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025DA19F20E0, 16 bytes long.
 Data: <&#232;5&#159; ]           > E8 35 9F A1 5D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025DA19F2900, 16 bytes long.
 Data: <&#192;5&#159; ]           > C0 35 9F A1 5D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025DA19EB750, 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 0x0000025DA19F2130, 16 bytes long.
 Data: < &#196;&#158; ]           > 88 C4 9E A1 5D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025DA19ED0A0, 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 0x0000025DA19F25E0, 16 bytes long.
 Data: <`&#196;&#158; ]           > 60 C4 9E A1 5D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025DA19F28B0, 16 bytes long.
 Data: <8&#196;&#158; ]           > 38 C4 9E A1 5D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025DA19F2860, 16 bytes long.
 Data: < &#196;&#158; ]           > 10 C4 9E A1 5D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025DA19F24A0, 16 bytes long.
 Data: <&#232;&#195;&#158; ]           > E8 C3 9E A1 5D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025DA19F2770, 16 bytes long.
 Data: <&#192;&#195;&#158; ]           > C0 C3 9E A1 5D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000025DA19F27C0, 16 bytes long.
 Data: < &#195;&#158; ]           > 98 C3 9E A1 5D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025DA19ED460, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000025DA19F1FF0, 16 bytes long.
 Data: <p&#195;&#158; ]           > 70 C3 9E A1 5D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025DA19EC370, 320 bytes long.
 Data: <&#240; &#159; ]   `&#212;&#158; ]   > F0 1F 9F A1 5D 02 00 00 60 D4 9E A1 5D 02 00 00 
{272} normal block at 0x0000025DA19F24F0, 16 bytes long.
 Data: <&#160;5&#159; ]           > A0 35 9F A1 5D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025DA19F29F0, 16 bytes long.
 Data: <x5&#159; ]           > 78 35 9F A1 5D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025DA19ECC20, 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 0x0000025DA19F2950, 16 bytes long.
 Data: <P5&#159; ]           > 50 35 9F A1 5D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025DA19ED400, 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 0x0000025DA19F2450, 16 bytes long.
 Data: < 4&#159; ]           > 98 34 9F A1 5D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025DA19F2BD0, 16 bytes long.
 Data: <p4&#159; ]           > 70 34 9F A1 5D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000025DA19F2B80, 16 bytes long.
 Data: <H4&#159; ]           > 48 34 9F A1 5D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025DA19F2590, 16 bytes long.
 Data: < 4&#159; ]           > 20 34 9F A1 5D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025DA19F2220, 16 bytes long.
 Data: <&#248;3&#159; ]           > F8 33 9F A1 5D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025DA19F2400, 16 bytes long.
 Data: <&#208;3&#159; ]           > D0 33 9F A1 5D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000025DA19F2040, 16 bytes long.
 Data: <&#208;&#179;&#158; ]           > D0 B3 9E A1 5D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000025DA19EB3D0, 40 bytes long.
 Data: <@ &#159; ]   &#208;&#175;[&#163;]   > 40 20 9F A1 5D 02 00 00 D0 AF 5B A3 5D 02 00 00 
{258} normal block at 0x0000025DA19F2360, 16 bytes long.
 Data: <&#176;3&#159; ]           > B0 33 9F A1 5D 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000025DA19F2540, 16 bytes long.
 Data: < 3&#159; ]           > 88 33 9F A1 5D 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000025DA19ECA40, 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 0x0000025DA19F2D10, 16 bytes long.
 Data: <`3&#159; ]           > 60 33 9F A1 5D 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000025DA19F3360, 992 bytes long.
 Data: < -&#159; ]   @&#202;&#158; ]   > 10 2D 9F A1 5D 02 00 00 40 CA 9E A1 5D 02 00 00 
{90} normal block at 0x0000025DA19EC740, 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 0x0000025DA19E6320, 16 bytes long.
 Data: <  &#158; ]           > 80 B2 9E A1 5D 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000025DA19EB280, 40 bytes long.
 Data: < c&#158; ]   @&#199;&#158; ]   > 20 63 9E A1 5D 02 00 00 40 C7 9E A1 5D 02 00 00 
{67} normal block at 0x0000025DA19E6410, 16 bytes long.
 Data: < &#234;&#203;&#248;&#246;           > 80 EA CB F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025DA19E6910, 16 bytes long.
 Data: <@&#233;&#203;&#248;&#246;           > 40 E9 CB F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025DA19E6AA0, 16 bytes long.
 Data: <&#248;W&#200;&#248;&#246;           > F8 57 C8 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000025DA19E68C0, 16 bytes long.
 Data: <&#216;W&#200;&#248;&#246;           > D8 57 C8 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000025DA19E6870, 16 bytes long.
 Data: <P &#200;&#248;&#246;           > 50 04 C8 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000025DA19E6A50, 16 bytes long.
 Data: <0 &#200;&#248;&#246;           > 30 04 C8 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000025DA19E71D0, 16 bytes long.
 Data: <&#224; &#200;&#248;&#246;           > E0 02 C8 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000025DA19E67D0, 16 bytes long.
 Data: <  &#200;&#248;&#246;           > 10 04 C8 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000025DA19E6780, 16 bytes long.
 Data: <p &#200;&#248;&#246;           > 70 04 C8 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000025DA19E6730, 16 bytes long.
 Data: < &#192;&#198;&#248;&#246;           > 18 C0 C6 F8 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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