Task 38699586

Name test_860-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND1873_0
Workunit 31639975
Created 4 Nov 2026, 18:41:41 UTC
Sent 4 Nov 2026, 18:41:46 UTC
Report deadline 9 Nov 2026, 18:41:46 UTC
Received 6 Nov 2026, 10:28:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 655048
Run time 1 hours 14 min 40 sec
CPU time 1 hours 9 min 25 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,878.75 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 679.39 MB
Peak swap size 2.31 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:14:45 (3424): wrapper (7.9.26016): starting
10:14:45 (3424): 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
10:14:47 (3424): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:14:47 (3424): 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\0\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\0\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
11:27:26 (3424): C:/Windows/system32/cmd.exe exited; CPU time 4165.859375
11:27:26 (3424): 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: 49987495 bytes.
Dumping objects ->
{3835183} normal block at 0x00000250F8F364E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835172} normal block at 0x00000250F8F368D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835161} normal block at 0x00000250F8F36860, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835150} normal block at 0x00000250F8F36EF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835139} normal block at 0x00000250F8F36E80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835108} normal block at 0x00000250FAA43E10, 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) : {3835095} normal block at 0x00000250F8F05C60, 8 bytes long.
 Data: <  &#182;&#250;P   > 00 00 B6 FA 50 02 00 00 
{3833951} normal block at 0x00000250F8F05080, 8 bytes long.
 Data: < &#235;&#254;&#248;P   > 00 EB FE F8 50 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000250F8F12ED0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000250F8EF63E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x00000250F8F125C0, 16 bytes long.
 Data: <&#216;-&#241;&#248;P           > D8 2D F1 F8 50 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000250F8F11D00, 16 bytes long.
 Data: <&#176;-&#241;&#248;P           > B0 2D F1 F8 50 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000250F8F0BE60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x00000250F8F12250, 16 bytes long.
 Data: < -&#241;&#248;P           > 88 2D F1 F8 50 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000250F8F12480, 16 bytes long.
 Data: <`-&#241;&#248;P           > 60 2D F1 F8 50 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000250F8F123E0, 16 bytes long.
 Data: <8-&#241;&#248;P           > 38 2D F1 F8 50 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000250F8F11DF0, 16 bytes long.
 Data: < -&#241;&#248;P           > 10 2D F1 F8 50 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000250F8F0A240, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x00000250F8F11DA0, 16 bytes long.
 Data: <X &#240;&#248;P           > 58 B2 F0 F8 50 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000250F8F0BA40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x00000250F8F12340, 16 bytes long.
 Data: <0 &#240;&#248;P           > 30 B2 F0 F8 50 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000250F8F12200, 16 bytes long.
 Data: <  &#240;&#248;P           > 08 B2 F0 F8 50 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000250F8F12840, 16 bytes long.
 Data: <&#224;&#177;&#240;&#248;P           > E0 B1 F0 F8 50 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000250F8F12570, 16 bytes long.
 Data: <&#184;&#177;&#240;&#248;P           > B8 B1 F0 F8 50 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000250F8F124D0, 16 bytes long.
 Data: < &#177;&#240;&#248;P           > 90 B1 F0 F8 50 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000250F8F11D50, 16 bytes long.
 Data: <h&#177;&#240;&#248;P           > 68 B1 F0 F8 50 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000250F8F0B3E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x00000250F8F122A0, 16 bytes long.
 Data: <@&#177;&#240;&#248;P           > 40 B1 F0 F8 50 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000250F8F0B140, 320 bytes long.
 Data: <&#160;"&#241;&#248;P   &#224;&#179;&#240;&#248;P   > A0 22 F1 F8 50 02 00 00 E0 B3 F0 F8 50 02 00 00 
{271} normal block at 0x00000250F8F11AD0, 16 bytes long.
 Data: <&#240;,&#241;&#248;P           > F0 2C F1 F8 50 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000250F8F121B0, 16 bytes long.
 Data: <&#200;,&#241;&#248;P           > C8 2C F1 F8 50 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000250F8F0C100, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x00000250F8F122F0, 16 bytes long.
 Data: <&#160;,&#241;&#248;P           > A0 2C F1 F8 50 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000250F8F0BE00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x00000250F8F12390, 16 bytes long.
 Data: <&#232;+&#241;&#248;P           > E8 2B F1 F8 50 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000250F8F12700, 16 bytes long.
 Data: <&#192;+&#241;&#248;P           > C0 2B F1 F8 50 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000250F8F120C0, 16 bytes long.
 Data: < +&#241;&#248;P           > 98 2B F1 F8 50 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000250F8F127A0, 16 bytes long.
 Data: <p+&#241;&#248;P           > 70 2B F1 F8 50 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000250F8F11A80, 16 bytes long.
 Data: <H+&#241;&#248;P           > 48 2B F1 F8 50 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000250F8F11CB0, 16 bytes long.
 Data: < +&#241;&#248;P           > 20 2B F1 F8 50 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000250F8F11BC0, 16 bytes long.
 Data: <&#192;&#158;&#240;&#248;P           > C0 9E F0 F8 50 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000250F8F09EC0, 40 bytes long.
 Data: <&#192; &#241;&#248;P    >&#164;&#250;P   > C0 1B F1 F8 50 02 00 00 10 3E A4 FA 50 02 00 00 
{257} normal block at 0x00000250F8F12750, 16 bytes long.
 Data: < +&#241;&#248;P           > 00 2B F1 F8 50 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000250F8F12070, 16 bytes long.
 Data: <&#216;*&#241;&#248;P           > D8 2A F1 F8 50 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000250F8F0C040, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x00000250F8F12160, 16 bytes long.
 Data: <&#176;*&#241;&#248;P           > B0 2A F1 F8 50 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000250F8F12AB0, 992 bytes long.
 Data: <`!&#241;&#248;P   @&#192;&#240;&#248;P   > 60 21 F1 F8 50 02 00 00 40 C0 F0 F8 50 02 00 00 
{89} normal block at 0x00000250F8F0C160, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x00000250F8F056C0, 16 bytes long.
 Data: <&#208; &#240;&#248;P           > D0 A1 F0 F8 50 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x00000250F8F0A1D0, 40 bytes long.
 Data: <&#192;V&#240;&#248;P   `&#193;&#240;&#248;P   > C0 56 F0 F8 50 02 00 00 60 C1 F0 F8 50 02 00 00 
{66} normal block at 0x00000250F8F053A0, 16 bytes long.
 Data: < &#234; ?&#246;           > 80 EA A2 3F F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000250F8F05170, 16 bytes long.
 Data: <@&#233; ?&#246;           > 40 E9 A2 3F F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000250F8F05D00, 16 bytes long.
 Data: <&#248;W&#159;?&#246;           > F8 57 9F 3F F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000250F8F05C10, 16 bytes long.
 Data: <&#216;W&#159;?&#246;           > D8 57 9F 3F F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000250F8F05670, 16 bytes long.
 Data: <P &#159;?&#246;           > 50 04 9F 3F F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000250F8F05530, 16 bytes long.
 Data: <0 &#159;?&#246;           > 30 04 9F 3F F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000250F8F051C0, 16 bytes long.
 Data: <&#224; &#159;?&#246;           > E0 02 9F 3F F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000250F8F05760, 16 bytes long.
 Data: <  &#159;?&#246;           > 10 04 9F 3F F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000250F8F05BC0, 16 bytes long.
 Data: <p &#159;?&#246;           > 70 04 9F 3F F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000250F8F05490, 16 bytes long.
 Data: < &#192;&#157;?&#246;           > 18 C0 9D 3F F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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