Task 38698077

Name test_728-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND1206_0
Workunit 31638610
Created 2 Nov 2026, 3:11:41 UTC
Sent 2 Nov 2026, 3:11:44 UTC
Report deadline 7 Nov 2026, 3:11:44 UTC
Received 2 Nov 2026, 3:57:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 391421
Run time 42 min 24 sec
CPU time 39 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,030.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 693.55 MB
Peak swap size 5.21 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:16:04 (20624): wrapper (7.9.26016): starting
04:16:04 (20624): 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
04:16:05 (20624): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:16:05 (20624): 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:\ProgramData\BOINC\slots\10\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:\ProgramData\BOINC\slots\10\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
04:57:24 (20624): C:/Windows/system32/cmd.exe exited; CPU time 2375.734375
04:57:24 (20624): 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: 46640197 bytes.
Dumping objects ->
{3835453} normal block at 0x0000021D3E6A4440, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835442} normal block at 0x0000021D3E6A4670, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835431} normal block at 0x0000021D3E6A46E0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835420} normal block at 0x0000021D3E6A4600, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835409} normal block at 0x0000021D3E6A43D0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835378} normal block at 0x0000021D401F7E90, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835365} normal block at 0x0000021D3E6A0470, 8 bytes long.
 Data: <  &#156;>    > 00 00 9C 3E 1D 02 00 00 
{3833953} normal block at 0x0000021D3E69FCF0, 8 bytes long.
 Data: <&#208;*%@    > D0 2A 25 40 1D 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000021D3E695F90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021D3E697810, 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 0x0000021D3E6A50D0, 16 bytes long.
 Data: <&#216;`j>            > D8 60 6A 3E 1D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021D3E6A4CC0, 16 bytes long.
 Data: <&#176;`j>            > B0 60 6A 3E 1D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021D3E6A0CC0, 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 0x0000021D3E6A52B0, 16 bytes long.
 Data: < `j>            > 88 60 6A 3E 1D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021D3E6A49F0, 16 bytes long.
 Data: <``j>            > 60 60 6A 3E 1D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021D3E6A4E00, 16 bytes long.
 Data: <8`j>            > 38 60 6A 3E 1D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021D3E6A58A0, 16 bytes long.
 Data: < `j>            > 10 60 6A 3E 1D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021D3E68FA50, 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 0x0000021D3E6A5300, 16 bytes long.
 Data: <&#232;&#249;h>            > E8 F9 68 3E 1D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021D3E6A0C00, 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 0x0000021D3E6A4F90, 16 bytes long.
 Data: <&#192;&#249;h>            > C0 F9 68 3E 1D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021D3E6A4A90, 16 bytes long.
 Data: < &#249;h>            > 98 F9 68 3E 1D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021D3E6A5260, 16 bytes long.
 Data: <p&#249;h>            > 70 F9 68 3E 1D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021D3E6A53A0, 16 bytes long.
 Data: <H&#249;h>            > 48 F9 68 3E 1D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021D3E6A5530, 16 bytes long.
 Data: < &#249;h>            > 20 F9 68 3E 1D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021D3E6A4C70, 16 bytes long.
 Data: <&#248;&#248;h>            > F8 F8 68 3E 1D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021D3E6A0F60, 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 0x0000021D3E6A5760, 16 bytes long.
 Data: <&#208;&#248;h>            > D0 F8 68 3E 1D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021D3E68F8D0, 320 bytes long.
 Data: <`Wj>    ` j>    > 60 57 6A 3E 1D 02 00 00 60 0F 6A 3E 1D 02 00 00 
{272} normal block at 0x0000021D3E6A5850, 16 bytes long.
 Data: <&#240;_j>            > F0 5F 6A 3E 1D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021D3E6A4FE0, 16 bytes long.
 Data: <&#200;_j>            > C8 5F 6A 3E 1D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021D3E6A1200, 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 0x0000021D3E6A4F40, 16 bytes long.
 Data: <&#160;_j>            > A0 5F 6A 3E 1D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021D3E6A11A0, 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 0x0000021D3E6A4D60, 16 bytes long.
 Data: <&#232;^j>            > E8 5E 6A 3E 1D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021D3E6A4EA0, 16 bytes long.
 Data: <&#192;^j>            > C0 5E 6A 3E 1D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021D3E6A5940, 16 bytes long.
 Data: < ^j>            > 98 5E 6A 3E 1D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021D3E6A5080, 16 bytes long.
 Data: <p^j>            > 70 5E 6A 3E 1D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021D3E6A5710, 16 bytes long.
 Data: <H^j>            > 48 5E 6A 3E 1D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021D3E6A5620, 16 bytes long.
 Data: < ^j>            > 20 5E 6A 3E 1D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021D3E6A5440, 16 bytes long.
 Data: <&#176;&#214;h>            > B0 D6 68 3E 1D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021D3E68D6B0, 40 bytes long.
 Data: <@Tj>     ~ @    > 40 54 6A 3E 1D 02 00 00 90 7E 1F 40 1D 02 00 00 
{258} normal block at 0x0000021D3E6A58F0, 16 bytes long.
 Data: < ^j>            > 00 5E 6A 3E 1D 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021D3E6A5210, 16 bytes long.
 Data: <&#216;]j>            > D8 5D 6A 3E 1D 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000021D3E6A1140, 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 0x0000021D3E6A55D0, 16 bytes long.
 Data: <&#176;]j>            > B0 5D 6A 3E 1D 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000021D3E6A5DB0, 992 bytes long.
 Data: <&#208;Uj>    @ j>    > D0 55 6A 3E 1D 02 00 00 40 11 6A 3E 1D 02 00 00 
{90} normal block at 0x0000021D3E6A0E40, 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 0x0000021D3E6A0240, 16 bytes long.
 Data: <&#192;&#202;h>            > C0 CA 68 3E 1D 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000021D3E68CAC0, 40 bytes long.
 Data: <@ j>    @ j>    > 40 02 6A 3E 1D 02 00 00 40 0E 6A 3E 1D 02 00 00 
{67} normal block at 0x0000021D3E6A04C0, 16 bytes long.
 Data: < &#234;rX&#247;           > 80 EA 72 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021D3E6A01A0, 16 bytes long.
 Data: <@&#233;rX&#247;           > 40 E9 72 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021D3E6A0420, 16 bytes long.
 Data: <&#248;WoX&#247;           > F8 57 6F 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021D3E6A0740, 16 bytes long.
 Data: <&#216;WoX&#247;           > D8 57 6F 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021D3E6A0060, 16 bytes long.
 Data: <P oX&#247;           > 50 04 6F 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021D3E69F930, 16 bytes long.
 Data: <0 oX&#247;           > 30 04 6F 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021D3E69FD40, 16 bytes long.
 Data: <&#224; oX&#247;           > E0 02 6F 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021D3E69FE80, 16 bytes long.
 Data: <  oX&#247;           > 10 04 6F 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021D3E6A06F0, 16 bytes long.
 Data: <p oX&#247;           > 70 04 6F 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000021D3E6A03D0, 16 bytes long.
 Data: < &#192;mX&#247;           > 18 C0 6D 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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