Task 38675035

Name test_11-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND4195_0
Workunit 31617033
Created 26 Oct 2026, 7:03:37 UTC
Sent 26 Oct 2026, 7:03:43 UTC
Report deadline 31 Oct 2026, 7:03:43 UTC
Received 26 Oct 2026, 9:31:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654843
Run time 49 min 6 sec
CPU time 40 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 647.70 MB
Peak swap size 1.56 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:42:54 (1284): wrapper (7.9.26016): starting
10:42:54 (1284): 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
10:42:56 (1284): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:42:56 (1284): 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\1\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\1\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
11:29:19 (1284): C:/Windows/system32/cmd.exe exited; CPU time 2437.453125
11:29:19 (1284): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 bytes in 8 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: 29814155 bytes.
Dumping objects ->
{3835229} normal block at 0x00000172024D1FE0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x00000172024D2D00, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x00000172024D2BB0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835196} normal block at 0x00000172024D2280, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x00000172024D1F00, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835154} normal block at 0x000001720261BDC0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835143} normal block at 0x0000017200B6DD30, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835140} normal block at 0x0000017200A86AE0, 8 bytes long.
 Data: <  N r   > 00 00 4E 02 72 01 00 00 
{3834539} normal block at 0x0000017200B6DC50, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x0000017200A869A0, 8 bytes long.
 Data: < 5M r   > 80 35 4D 02 72 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000017200A8F810, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000017200A7A500, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x0000017200A91430, 16 bytes long.
 Data: < -&#169; r           > 18 2D A9 00 72 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000017200A912A0, 16 bytes long.
 Data: <&#240;,&#169; r           > F0 2C A9 00 72 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000017200A8BF60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x0000017200A91520, 16 bytes long.
 Data: <&#200;,&#169; r           > C8 2C A9 00 72 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017200A91110, 16 bytes long.
 Data: <&#160;,&#169; r           > A0 2C A9 00 72 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017200A91020, 16 bytes long.
 Data: <x,&#169; r           > 78 2C A9 00 72 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017200A90FD0, 16 bytes long.
 Data: <P,&#169; r           > 50 2C A9 00 72 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017200A8AA80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x0000017200A910C0, 16 bytes long.
 Data: <8Z&#167; r           > 38 5A A7 00 72 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000017200A8C320, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x0000017200A909E0, 16 bytes long.
 Data: < Z&#167; r           > 10 5A A7 00 72 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000017200A91070, 16 bytes long.
 Data: <&#232;Y&#167; r           > E8 59 A7 00 72 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017200A90620, 16 bytes long.
 Data: <&#192;Y&#167; r           > C0 59 A7 00 72 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000017200A91390, 16 bytes long.
 Data: < Y&#167; r           > 98 59 A7 00 72 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017200A90F30, 16 bytes long.
 Data: <pY&#167; r           > 70 59 A7 00 72 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000017200A908A0, 16 bytes long.
 Data: <HY&#167; r           > 48 59 A7 00 72 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000017200A8BBA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x0000017200A914D0, 16 bytes long.
 Data: < Y&#167; r           > 20 59 A7 00 72 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000017200A75920, 320 bytes long.
 Data: <&#208; &#169; r   &#160;&#187;&#168; r   > D0 14 A9 00 72 01 00 00 A0 BB A8 00 72 01 00 00 
{268} normal block at 0x0000017200A90D50, 16 bytes long.
 Data: <0,&#169; r           > 30 2C A9 00 72 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017200A90B70, 16 bytes long.
 Data: < ,&#169; r           > 08 2C A9 00 72 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017200A8C860, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x0000017200A90990, 16 bytes long.
 Data: <&#224;+&#169; r           > E0 2B A9 00 72 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017200A8C200, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x0000017200A90C10, 16 bytes long.
 Data: <(+&#169; r           > 28 2B A9 00 72 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000017200A911B0, 16 bytes long.
 Data: < +&#169; r           > 00 2B A9 00 72 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000017200A913E0, 16 bytes long.
 Data: <&#216;*&#169; r           > D8 2A A9 00 72 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000017200A90EE0, 16 bytes long.
 Data: <&#176;*&#169; r           > B0 2A A9 00 72 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000017200A91250, 16 bytes long.
 Data: < *&#169; r           > 88 2A A9 00 72 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000017200A907B0, 16 bytes long.
 Data: <`*&#169; r           > 60 2A A9 00 72 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000017200A90E90, 16 bytes long.
 Data: <@&#172;&#168; r           > 40 AC A8 00 72 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000017200A8AC40, 40 bytes long.
 Data: <  &#169; r   &#192;&#189;a r   > 90 0E A9 00 72 01 00 00 C0 BD 61 02 72 01 00 00 
{254} normal block at 0x0000017200A90C60, 16 bytes long.
 Data: <@*&#169; r           > 40 2A A9 00 72 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000017200A90DA0, 16 bytes long.
 Data: < *&#169; r           > 18 2A A9 00 72 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000017200A8C980, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x0000017200A90850, 16 bytes long.
 Data: <&#240;)&#169; r           > F0 29 A9 00 72 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000017200A929F0, 992 bytes long.
 Data: <P &#169; r    &#201;&#168; r   > 50 08 A9 00 72 01 00 00 80 C9 A8 00 72 01 00 00 
{86} normal block at 0x0000017200A8BF00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x0000017200A861D0, 16 bytes long.
 Data: < &#177;&#168; r           > 10 B1 A8 00 72 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000017200A8B110, 40 bytes long.
 Data: <&#208;a&#168; r    &#191;&#168; r   > D0 61 A8 00 72 01 00 00 00 BF A8 00 72 01 00 00 
{63} normal block at 0x0000017200A86770, 16 bytes long.
 Data: < &#234;&#137;&#239;&#247;           > 80 EA 89 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000017200A869F0, 16 bytes long.
 Data: <@&#233;&#137;&#239;&#247;           > 40 E9 89 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000017200A86720, 16 bytes long.
 Data: <&#248;W&#134;&#239;&#247;           > F8 57 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000017200A86680, 16 bytes long.
 Data: <&#216;W&#134;&#239;&#247;           > D8 57 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000017200A86630, 16 bytes long.
 Data: <P &#134;&#239;&#247;           > 50 04 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000017200A86400, 16 bytes long.
 Data: <0 &#134;&#239;&#247;           > 30 04 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000017200A868B0, 16 bytes long.
 Data: <&#224; &#134;&#239;&#247;           > E0 02 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000017200A86130, 16 bytes long.
 Data: <  &#134;&#239;&#247;           > 10 04 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000017200A86A90, 16 bytes long.
 Data: <p &#134;&#239;&#247;           > 70 04 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000017200A864A0, 16 bytes long.
 Data: < &#192;&#132;&#239;&#247;           > 18 C0 84 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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