Task 38685863

Name test_393-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND2509_0
Workunit 31627317
Created 27 Oct 2026, 23:19:02 UTC
Sent 27 Oct 2026, 23:19:08 UTC
Report deadline 1 Nov 2026, 23:19:08 UTC
Received 28 Oct 2026, 0:18:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615074
Run time 58 min 16 sec
CPU time 55 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,856.09 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 694.72 MB
Peak swap size 11.28 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:21:36 (16028): wrapper (7.9.26016): starting
00:21:36 (16028): 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
00:21:38 (16028): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:21:38 (16028): 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\28\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\28\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
01:17:44 (16028): C:/Windows/system32/cmd.exe exited; CPU time 3348.468750
01:17:44 (16028): 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: 46554113 bytes.
Dumping objects ->
{3835220} normal block at 0x0000021B96EA6FA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x0000021B96EA6C20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x0000021B96EA63D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835187} normal block at 0x0000021B96EA7240, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835176} normal block at 0x0000021B96EA64B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835145} normal block at 0x0000021B98AC5840, 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) : {3835132} normal block at 0x0000021B96E78F00, 8 bytes long.
 Data: <  &#224;&#150;    > 00 00 E0 96 1B 02 00 00 
{3833949} normal block at 0x0000021B96E78E60, 8 bytes long.
 Data: <P &#178;     > 50 10 B2 98 1B 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000021B96E81F60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021B96E6AD00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000021B96E83450, 16 bytes long.
 Data: < B&#232;&#150;            > 08 42 E8 96 1B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021B96E83AE0, 16 bytes long.
 Data: <&#224;A&#232;&#150;            > E0 41 E8 96 1B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021B96E7E2D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x0000021B96E839A0, 16 bytes long.
 Data: <&#184;A&#232;&#150;            > B8 41 E8 96 1B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021B96E83C70, 16 bytes long.
 Data: < A&#232;&#150;            > 90 41 E8 96 1B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021B96E836D0, 16 bytes long.
 Data: <hA&#232;&#150;            > 68 41 E8 96 1B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021B96E83950, 16 bytes long.
 Data: <@A&#232;&#150;            > 40 41 E8 96 1B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021B96E7D220, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000021B96E83680, 16 bytes long.
 Data: < \&#230;&#150;            > 08 5C E6 96 1B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021B96E7E690, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000021B96E83CC0, 16 bytes long.
 Data: <&#224;[&#230;&#150;            > E0 5B E6 96 1B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021B96E838B0, 16 bytes long.
 Data: <&#184;[&#230;&#150;            > B8 5B E6 96 1B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021B96E83C20, 16 bytes long.
 Data: < [&#230;&#150;            > 90 5B E6 96 1B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021B96E839F0, 16 bytes long.
 Data: <h[&#230;&#150;            > 68 5B E6 96 1B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021B96E83A40, 16 bytes long.
 Data: <@[&#230;&#150;            > 40 5B E6 96 1B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021B96E82F50, 16 bytes long.
 Data: < [&#230;&#150;            > 18 5B E6 96 1B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021B96E7EC90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x0000021B96E83A90, 16 bytes long.
 Data: <&#240;Z&#230;&#150;            > F0 5A E6 96 1B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021B96E65AF0, 320 bytes long.
 Data: < :&#232;&#150;     &#236;&#231;&#150;    > 90 3A E8 96 1B 02 00 00 90 EC E7 96 1B 02 00 00 
{270} normal block at 0x0000021B96E82FA0, 16 bytes long.
 Data: < A&#232;&#150;            > 20 41 E8 96 1B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021B96E83900, 16 bytes long.
 Data: <&#248;@&#232;&#150;            > F8 40 E8 96 1B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021B96E7EDB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x0000021B96E82F00, 16 bytes long.
 Data: <&#208;@&#232;&#150;            > D0 40 E8 96 1B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021B96E7EAB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x0000021B96E83720, 16 bytes long.
 Data: < @&#232;&#150;            > 18 40 E8 96 1B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021B96E83860, 16 bytes long.
 Data: <&#240;?&#232;&#150;            > F0 3F E8 96 1B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021B96E833B0, 16 bytes long.
 Data: <&#200;?&#232;&#150;            > C8 3F E8 96 1B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021B96E83360, 16 bytes long.
 Data: <&#160;?&#232;&#150;            > A0 3F E8 96 1B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021B96E83810, 16 bytes long.
 Data: <x?&#232;&#150;            > 78 3F E8 96 1B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021B96E83630, 16 bytes long.
 Data: <P?&#232;&#150;            > 50 3F E8 96 1B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021B96E83130, 16 bytes long.
 Data: <&#176;&#209;&#231;&#150;            > B0 D1 E7 96 1B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021B96E7D1B0, 40 bytes long.
 Data: <01&#232;&#150;    @X&#172;     > 30 31 E8 96 1B 02 00 00 40 58 AC 98 1B 02 00 00 
{256} normal block at 0x0000021B96E83BD0, 16 bytes long.
 Data: <0?&#232;&#150;            > 30 3F E8 96 1B 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000021B96E837C0, 16 bytes long.
 Data: < ?&#232;&#150;            > 08 3F E8 96 1B 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000021B96E7EC30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000021B96E83220, 16 bytes long.
 Data: <&#224;>&#232;&#150;            > E0 3E E8 96 1B 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000021B96E83EE0, 992 bytes long.
 Data: < 2&#232;&#150;    0&#236;&#231;&#150;    > 20 32 E8 96 1B 02 00 00 30 EC E7 96 1B 02 00 00 
{88} normal block at 0x0000021B96E7E330, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x0000021B96E78820, 16 bytes long.
 Data: <0&#206;&#231;&#150;            > 30 CE E7 96 1B 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000021B96E7CE30, 40 bytes long.
 Data: <  &#231;&#150;    0&#227;&#231;&#150;    > 20 88 E7 96 1B 02 00 00 30 E3 E7 96 1B 02 00 00 
{65} normal block at 0x0000021B96E784B0, 16 bytes long.
 Data: < &#234;&#206; &#246;           > 80 EA CE 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021B96E78460, 16 bytes long.
 Data: <@&#233;&#206; &#246;           > 40 E9 CE 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021B96E783C0, 16 bytes long.
 Data: <&#248;W&#203; &#246;           > F8 57 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021B96E78EB0, 16 bytes long.
 Data: <&#216;W&#203; &#246;           > D8 57 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021B96E78410, 16 bytes long.
 Data: <P &#203; &#246;           > 50 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021B96E78CD0, 16 bytes long.
 Data: <0 &#203; &#246;           > 30 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021B96E78A00, 16 bytes long.
 Data: <&#224; &#203; &#246;           > E0 02 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000021B96E781E0, 16 bytes long.
 Data: <  &#203; &#246;           > 10 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000021B96E78370, 16 bytes long.
 Data: <p &#203; &#246;           > 70 04 CB 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000021B96E785F0, 16 bytes long.
 Data: < &#192;&#201; &#246;           > 18 C0 C9 1A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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