Task 38680685

Name test_23-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND6556_0
Workunit 31622394
Created 27 Oct 2026, 0:51:16 UTC
Sent 27 Oct 2026, 0:51:28 UTC
Report deadline 1 Nov 2026, 0:51:28 UTC
Received 27 Oct 2026, 3:50:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623034
Run time 21 min 17 sec
CPU time 21 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,609.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.75 MB
Peak swap size 9.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
22:27:21 (36192): wrapper (7.9.26016): starting
22:27:21 (36192): 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
22:27:22 (36192): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:27:22 (36192): 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\24\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\24\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
22:50:08 (36192): C:/Windows/system32/cmd.exe exited; CPU time 1276.984375
22:50:08 (36192): 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: 28688981 bytes.
Dumping objects ->
{3835205} normal block at 0x000001AB1483C840, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835194} normal block at 0x000001AB129942F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x000001AB12994210, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835172} normal block at 0x000001AB129940C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835161} normal block at 0x000001AB12994670, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835130} normal block at 0x000001AB1488ABB0, 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) : {3835117} normal block at 0x000001AB1298EE80, 8 bytes long.
 Data: <  &#238; &#171;   > 00 00 EE 12 AB 01 00 00 
{3833969} normal block at 0x000001AB1298EAC0, 8 bytes long.
 Data: <&#192;&#233;&#166; &#171;   > C0 E9 A6 12 AB 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001AB12990550, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001AB1297F300, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x000001AB12994E70, 16 bytes long.
 Data: < `  &#171;           > 18 60 99 12 AB 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001AB12994FB0, 16 bytes long.
 Data: <&#240;_  &#171;           > F0 5F 99 12 AB 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001AB1298F450, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x000001AB12995190, 16 bytes long.
 Data: <&#200;_  &#171;           > C8 5F 99 12 AB 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001AB12995AA0, 16 bytes long.
 Data: <&#160;_  &#171;           > A0 5F 99 12 AB 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001AB12994F60, 16 bytes long.
 Data: <x_  &#171;           > 78 5F 99 12 AB 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001AB12994D80, 16 bytes long.
 Data: <P_  &#171;           > 50 5F 99 12 AB 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001AB12994520, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x000001AB129954B0, 16 bytes long.
 Data: <h&#222;  &#171;           > 68 DE 98 12 AB 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001AB1298FE70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x000001AB12995230, 16 bytes long.
 Data: <@&#222;  &#171;           > 40 DE 98 12 AB 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001AB12994F10, 16 bytes long.
 Data: < &#222;  &#171;           > 18 DE 98 12 AB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001AB129950F0, 16 bytes long.
 Data: <&#240;&#221;  &#171;           > F0 DD 98 12 AB 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001AB12995690, 16 bytes long.
 Data: <&#200;&#221;  &#171;           > C8 DD 98 12 AB 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001AB12995AF0, 16 bytes long.
 Data: <&#160;&#221;  &#171;           > A0 DD 98 12 AB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001AB12995320, 16 bytes long.
 Data: <x&#221;  &#171;           > 78 DD 98 12 AB 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001AB1298FE10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x000001AB12994D30, 16 bytes long.
 Data: <P&#221;  &#171;           > 50 DD 98 12 AB 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001AB1298DD50, 320 bytes long.
 Data: <0M  &#171;    &#254;  &#171;   > 30 4D 99 12 AB 01 00 00 10 FE 98 12 AB 01 00 00 
{280} normal block at 0x000001AB12995460, 16 bytes long.
 Data: <0_  &#171;           > 30 5F 99 12 AB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001AB129958C0, 16 bytes long.
 Data: < _  &#171;           > 08 5F 99 12 AB 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001AB1298FAB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x000001AB12995820, 16 bytes long.
 Data: <&#224;^  &#171;           > E0 5E 99 12 AB 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001AB1298FF30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x000001AB12994EC0, 16 bytes long.
 Data: <(^  &#171;           > 28 5E 99 12 AB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001AB12995550, 16 bytes long.
 Data: < ^  &#171;           > 00 5E 99 12 AB 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001AB12995960, 16 bytes long.
 Data: <&#216;]  &#171;           > D8 5D 99 12 AB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001AB129950A0, 16 bytes long.
 Data: <&#176;]  &#171;           > B0 5D 99 12 AB 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001AB12994E20, 16 bytes long.
 Data: < ]  &#171;           > 88 5D 99 12 AB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001AB12995410, 16 bytes long.
 Data: <`]  &#171;           > 60 5D 99 12 AB 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001AB129956E0, 16 bytes long.
 Data: <0A  &#171;           > 30 41 99 12 AB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001AB12994130, 40 bytes long.
 Data: <&#224;V  &#171;   &#176;&#171;  &#171;   > E0 56 99 12 AB 01 00 00 B0 AB 88 14 AB 01 00 00 
{266} normal block at 0x000001AB12995730, 16 bytes long.
 Data: <@]  &#171;           > 40 5D 99 12 AB 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001AB12995870, 16 bytes long.
 Data: < ]  &#171;           > 18 5D 99 12 AB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001AB1298FA50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x000001AB129957D0, 16 bytes long.
 Data: <&#240;\  &#171;           > F0 5C 99 12 AB 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001AB12995CF0, 992 bytes long.
 Data: <&#208;W  &#171;   P&#250;  &#171;   > D0 57 99 12 AB 01 00 00 50 FA 98 12 AB 01 00 00 
{98} normal block at 0x000001AB1298FED0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000001AB1298E2F0, 16 bytes long.
 Data: <`&#217;&#151; &#171;           > 60 D9 97 12 AB 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000001AB1297D960, 40 bytes long.
 Data: <&#240;&#226;  &#171;   &#208;&#254;  &#171;   > F0 E2 98 12 AB 01 00 00 D0 FE 98 12 AB 01 00 00 
{75} normal block at 0x000001AB1298E750, 16 bytes long.
 Data: < &#234;$#&#247;           > 80 EA 24 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001AB1298EB60, 16 bytes long.
 Data: <@&#233;$#&#247;           > 40 E9 24 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001AB1298E520, 16 bytes long.
 Data: <&#248;W!#&#247;           > F8 57 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001AB1298EE30, 16 bytes long.
 Data: <&#216;W!#&#247;           > D8 57 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001AB1298E160, 16 bytes long.
 Data: <P !#&#247;           > 50 04 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001AB1298E3E0, 16 bytes long.
 Data: <0 !#&#247;           > 30 04 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001AB1298E8E0, 16 bytes long.
 Data: <&#224; !#&#247;           > E0 02 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001AB1298ED90, 16 bytes long.
 Data: <  !#&#247;           > 10 04 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001AB1298E5C0, 16 bytes long.
 Data: <p !#&#247;           > 70 04 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001AB1298EBB0, 16 bytes long.
 Data: < &#192; #&#247;           > 18 C0 1F 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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