Task 38697044

Name test_899-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND5593_0
Workunit 31637646
Created 1 Nov 2026, 8:06:47 UTC
Sent 1 Nov 2026, 8:06:52 UTC
Report deadline 6 Nov 2026, 8:06:52 UTC
Received 1 Nov 2026, 9:06:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 552686
Run time 44 min 32 sec
CPU time 44 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,156.89 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 696.24 MB
Peak swap size 2.95 GB
Peak disk usage 1.47 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
19:11:19 (15856): wrapper (7.9.26016): starting
19:11:19 (15856): 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
19:12:20 (15856): Library/usr/bin/tar.exe exited; CPU time 0.031250
19:12:20 (15856): 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 'E:\boincdata\slots\7\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 'E:\boincdata\slots\7\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
20:06:14 (15856): C:/Windows/system32/cmd.exe exited; CPU time 2672.593750
20:06:14 (15856): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 74729837 bytes.
Dumping objects ->
{3835260} normal block at 0x0000027E5628DEE0, 48 bytes long.
 Data: <PATH=E:\boincdat> 50 41 54 48 3D 45 3A 5C 62 6F 69 6E 63 64 61 74 
{3835249} normal block at 0x0000027E56322140, 32 bytes long.
 Data: <HOME=E:\boincdat> 48 4F 4D 45 3D 45 3A 5C 62 6F 69 6E 63 64 61 74 
{3835238} normal block at 0x0000027E56322500, 32 bytes long.
 Data: <TMP=E:\boincdata> 54 4D 50 3D 45 3A 5C 62 6F 69 6E 63 64 61 74 61 
{3835227} normal block at 0x0000027E56322860, 32 bytes long.
 Data: <TEMP=E:\boincdat> 54 45 4D 50 3D 45 3A 5C 62 6F 69 6E 63 64 61 74 
{3835216} normal block at 0x0000027E56321720, 32 bytes long.
 Data: <TMPDIR=E:\boincd> 54 4D 50 44 49 52 3D 45 3A 5C 62 6F 69 6E 63 64 
{3835185} normal block at 0x0000027E538C6250, 48 bytes long.
 Data: <PATH=E:\boincdat> 50 41 54 48 3D 45 3A 5C 62 6F 69 6E 63 64 61 74 
..\api\boinc_api.cpp(309) : {3835172} normal block at 0x0000027E538BB220, 8 bytes long.
 Data: <  &#192;S~   > 00 00 C0 53 7E 02 00 00 
{3833963} normal block at 0x0000027E538BB450, 8 bytes long.
 Data: < k6V~   > 80 6B 36 56 7E 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000027E538B1FC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000027E538B8930, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000027E538C67E0, 16 bytes long.
 Data: <&#232;x&#140;S~           > E8 78 8C 53 7E 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000027E538C6790, 16 bytes long.
 Data: <&#192;x&#140;S~           > C0 78 8C 53 7E 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000027E538C12D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000027E538C7500, 16 bytes long.
 Data: < x&#140;S~           > 98 78 8C 53 7E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000027E538C66F0, 16 bytes long.
 Data: <px&#140;S~           > 70 78 8C 53 7E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000027E538C7460, 16 bytes long.
 Data: <Hx&#140;S~           > 48 78 8C 53 7E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000027E538C6BF0, 16 bytes long.
 Data: < x&#140;S~           > 20 78 8C 53 7E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027E538C62C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000027E538C6A10, 16 bytes long.
 Data: <&#200; &#139;S~           > C8 03 8B 53 7E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000027E538C0AF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000027E538C6F10, 16 bytes long.
 Data: <&#160; &#139;S~           > A0 03 8B 53 7E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027E538C6B50, 16 bytes long.
 Data: <x &#139;S~           > 78 03 8B 53 7E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027E538C6B00, 16 bytes long.
 Data: <P &#139;S~           > 50 03 8B 53 7E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027E538C69C0, 16 bytes long.
 Data: <( &#139;S~           > 28 03 8B 53 7E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027E538C66A0, 16 bytes long.
 Data: <  &#139;S~           > 00 03 8B 53 7E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027E538C6650, 16 bytes long.
 Data: <&#216; &#139;S~           > D8 02 8B 53 7E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027E538C0D90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000027E538C70F0, 16 bytes long.
 Data: <&#176; &#139;S~           > B0 02 8B 53 7E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027E538B02B0, 320 bytes long.
 Data: <&#240;p&#140;S~     &#140;S~   > F0 70 8C 53 7E 02 00 00 90 0D 8C 53 7E 02 00 00 
{277} normal block at 0x0000027E538C71E0, 16 bytes long.
 Data: < x&#140;S~           > 00 78 8C 53 7E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027E538C6A60, 16 bytes long.
 Data: <&#216;w&#140;S~           > D8 77 8C 53 7E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027E538C07F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000027E538C7230, 16 bytes long.
 Data: <&#176;w&#140;S~           > B0 77 8C 53 7E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027E538C0CD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000027E538C7140, 16 bytes long.
 Data: <&#248;v&#140;S~           > F8 76 8C 53 7E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000027E538C68D0, 16 bytes long.
 Data: <&#208;v&#140;S~           > D0 76 8C 53 7E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027E538C70A0, 16 bytes long.
 Data: <&#168;v&#140;S~           > A8 76 8C 53 7E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027E538C7050, 16 bytes long.
 Data: < v&#140;S~           > 80 76 8C 53 7E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027E538C6600, 16 bytes long.
 Data: <Xv&#140;S~           > 58 76 8C 53 7E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027E538C6740, 16 bytes long.
 Data: <0v&#140;S~           > 30 76 8C 53 7E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000027E538C7370, 16 bytes long.
 Data: <&#176;_&#140;S~           > B0 5F 8C 53 7E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027E538C5FB0, 40 bytes long.
 Data: <ps&#140;S~   Pb&#140;S~   > 70 73 8C 53 7E 02 00 00 50 62 8C 53 7E 02 00 00 
{263} normal block at 0x0000027E538C72D0, 16 bytes long.
 Data: < v&#140;S~           > 10 76 8C 53 7E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027E538C6EC0, 16 bytes long.
 Data: <&#232;u&#140;S~           > E8 75 8C 53 7E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027E538C0A90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000027E538C6BA0, 16 bytes long.
 Data: <&#192;u&#140;S~           > C0 75 8C 53 7E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000027E538C75C0, 992 bytes long.
 Data: <&#160;k&#140;S~     &#140;S~   > A0 6B 8C 53 7E 02 00 00 90 0A 8C 53 7E 02 00 00 
{95} normal block at 0x0000027E538C0610, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000027E538BB1D0, 16 bytes long.
 Data: <&#208;^&#140;S~           > D0 5E 8C 53 7E 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000027E538C5ED0, 40 bytes long.
 Data: <&#208;&#177;&#139;S~     &#140;S~   > D0 B1 8B 53 7E 02 00 00 10 06 8C 53 7E 02 00 00 
{72} normal block at 0x0000027E538BBB30, 16 bytes long.
 Data: < &#234;&#135;+&#247;           > 80 EA 87 2B F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000027E538BB4F0, 16 bytes long.
 Data: <@&#233;&#135;+&#247;           > 40 E9 87 2B F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000027E538BBF40, 16 bytes long.
 Data: <&#248;W&#132;+&#247;           > F8 57 84 2B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000027E538BBEF0, 16 bytes long.
 Data: <&#216;W&#132;+&#247;           > D8 57 84 2B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000027E538BB180, 16 bytes long.
 Data: <P &#132;+&#247;           > 50 04 84 2B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000027E538BB590, 16 bytes long.
 Data: <0 &#132;+&#247;           > 30 04 84 2B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000027E538BBEA0, 16 bytes long.
 Data: <&#224; &#132;+&#247;           > E0 02 84 2B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000027E538BBD60, 16 bytes long.
 Data: <  &#132;+&#247;           > 10 04 84 2B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027E538BB810, 16 bytes long.
 Data: <p &#132;+&#247;           > 70 04 84 2B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027E538BB130, 16 bytes long.
 Data: < &#192;&#130;+&#247;           > 18 C0 82 2B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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