Task 38665943

Name test_191-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND4857_0
Workunit 31608980
Created 25 Oct 2026, 1:48:39 UTC
Sent 25 Oct 2026, 2:08:23 UTC
Report deadline 30 Oct 2026, 2:08:23 UTC
Received 25 Oct 2026, 2:31:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 592287
Run time 20 min 48 sec
CPU time 15 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 110,979.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 761.96 MB
Peak swap size 13.26 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:11:15 (18536): wrapper (7.9.26016): starting
19:11:15 (18536): 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
19:11:16 (18536): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:11:16 (18536): 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\42\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\42\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
19:31:06 (18536): C:/Windows/system32/cmd.exe exited; CPU time 947.890625
19:31:06 (18536): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 22925737 bytes.
Dumping objects ->
{3835544} normal block at 0x000001F816A32B00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835533} normal block at 0x000001F816A32A90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835522} normal block at 0x000001F814CD8BF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835511} normal block at 0x000001F814CD8B80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835500} normal block at 0x000001F814CD90C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835469} normal block at 0x000001F816A7BC50, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835458} normal block at 0x000001F816A94640, 102 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) : {3835455} normal block at 0x000001F814CD0590, 8 bytes long.
 Data: <  &#201; &#248;   > 00 00 C9 14 F8 01 00 00 
{3834698} normal block at 0x000001F816A94590, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001F814CD0720, 8 bytes long.
 Data: < &#163;&#205; &#248;   > 00 A3 CD 14 F8 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001F814CCD7D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001F814CC6EA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001F814CDAD70, 16 bytes long.
 Data: <&#184;&#186;&#205; &#248;           > B8 BA CD 14 F8 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F814CDA820, 16 bytes long.
 Data: < &#186;&#205; &#248;           > 90 BA CD 14 F8 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F814CD3ED0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001F814CDAD20, 16 bytes long.
 Data: <h&#186;&#205; &#248;           > 68 BA CD 14 F8 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F814CDAC30, 16 bytes long.
 Data: <@&#186;&#205; &#248;           > 40 BA CD 14 F8 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F814CDA960, 16 bytes long.
 Data: < &#186;&#205; &#248;           > 18 BA CD 14 F8 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F814CDB680, 16 bytes long.
 Data: <&#240;&#185;&#205; &#248;           > F0 B9 CD 14 F8 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F814CD8C60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001F814CDAC80, 16 bytes long.
 Data: <h&#238;&#203; &#248;           > 68 EE CB 14 F8 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F814CD4950, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001F814CDABE0, 16 bytes long.
 Data: <@&#238;&#203; &#248;           > 40 EE CB 14 F8 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F814CDADC0, 16 bytes long.
 Data: < &#238;&#203; &#248;           > 18 EE CB 14 F8 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F814CDB630, 16 bytes long.
 Data: <&#240;&#237;&#203; &#248;           > F0 ED CB 14 F8 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F814CDA910, 16 bytes long.
 Data: <&#200;&#237;&#203; &#248;           > C8 ED CB 14 F8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F814CDAFA0, 16 bytes long.
 Data: <&#160;&#237;&#203; &#248;           > A0 ED CB 14 F8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F814CDAB90, 16 bytes long.
 Data: <x&#237;&#203; &#248;           > 78 ED CB 14 F8 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F814CD4BF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001F814CDB1D0, 16 bytes long.
 Data: <P&#237;&#203; &#248;           > 50 ED CB 14 F8 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F814CBED50, 320 bytes long.
 Data: <&#208;&#177;&#205; &#248;   &#240;K&#205; &#248;   > D0 B1 CD 14 F8 01 00 00 F0 4B CD 14 F8 01 00 00 
{276} normal block at 0x000001F814CDB400, 16 bytes long.
 Data: <&#208;&#185;&#205; &#248;           > D0 B9 CD 14 F8 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F814CDACD0, 16 bytes long.
 Data: <&#168;&#185;&#205; &#248;           > A8 B9 CD 14 F8 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F814CD4350, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001F814CDAEB0, 16 bytes long.
 Data: < &#185;&#205; &#248;           > 80 B9 CD 14 F8 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F814CD4D70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001F814CDAAA0, 16 bytes long.
 Data: <&#200;&#184;&#205; &#248;           > C8 B8 CD 14 F8 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F814CDAB40, 16 bytes long.
 Data: <&#160;&#184;&#205; &#248;           > A0 B8 CD 14 F8 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F814CDB6D0, 16 bytes long.
 Data: <x&#184;&#205; &#248;           > 78 B8 CD 14 F8 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F814CDB540, 16 bytes long.
 Data: <P&#184;&#205; &#248;           > 50 B8 CD 14 F8 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F814CDAA50, 16 bytes long.
 Data: <(&#184;&#205; &#248;           > 28 B8 CD 14 F8 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F814CDAF50, 16 bytes long.
 Data: < &#184;&#205; &#248;           > 00 B8 CD 14 F8 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F814CDAF00, 16 bytes long.
 Data: <p &#205; &#248;           > 70 8F CD 14 F8 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F814CD8F70, 40 bytes long.
 Data: < &#175;&#205; &#248;   P&#188;&#167; &#248;   > 00 AF CD 14 F8 01 00 00 50 BC A7 16 F8 01 00 00 
{262} normal block at 0x000001F814CDB590, 16 bytes long.
 Data: <&#224;&#183;&#205; &#248;           > E0 B7 CD 14 F8 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F814CDAFF0, 16 bytes long.
 Data: <&#184;&#183;&#205; &#248;           > B8 B7 CD 14 F8 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F814CD4D10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001F814CDB180, 16 bytes long.
 Data: < &#183;&#205; &#248;           > 90 B7 CD 14 F8 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F814CDB790, 992 bytes long.
 Data: < &#177;&#205; &#248;    M&#205; &#248;   > 80 B1 CD 14 F8 01 00 00 10 4D CD 14 F8 01 00 00 
{94} normal block at 0x000001F814CD4CB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001F814CD0860, 16 bytes long.
 Data: < &#146;&#205; &#248;           > 10 92 CD 14 F8 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001F814CD9210, 40 bytes long.
 Data: <` &#205; &#248;   &#176;L&#205; &#248;   > 60 08 CD 14 F8 01 00 00 B0 4C CD 14 F8 01 00 00 
{71} normal block at 0x000001F814CD08B0, 16 bytes long.
 Data: < &#234;&#224;&#190;&#247;           > 80 EA E0 BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001F814CCFFF0, 16 bytes long.
 Data: <@&#233;&#224;&#190;&#247;           > 40 E9 E0 BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F814CD0E00, 16 bytes long.
 Data: <&#248;W&#221;&#190;&#247;           > F8 57 DD BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F814CD0C70, 16 bytes long.
 Data: <&#216;W&#221;&#190;&#247;           > D8 57 DD BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F814CD0DB0, 16 bytes long.
 Data: <P &#221;&#190;&#247;           > 50 04 DD BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F814CD0CC0, 16 bytes long.
 Data: <0 &#221;&#190;&#247;           > 30 04 DD BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F814CCFFA0, 16 bytes long.
 Data: <&#224; &#221;&#190;&#247;           > E0 02 DD BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F814CD0C20, 16 bytes long.
 Data: <  &#221;&#190;&#247;           > 10 04 DD BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F814CD09F0, 16 bytes long.
 Data: <p &#221;&#190;&#247;           > 70 04 DD BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F814CCFF50, 16 bytes long.
 Data: < &#192;&#219;&#190;&#247;           > 18 C0 DB BE F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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