Task 38669621

Name test_588-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND9358_1
Workunit 31611904
Created 25 Oct 2026, 15:06:08 UTC
Sent 25 Oct 2026, 15:06:10 UTC
Report deadline 30 Oct 2026, 15:06:10 UTC
Received 25 Oct 2026, 15:45:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652922
Run time 20 min 57 sec
CPU time 19 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 43,943.47 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.88 MB
Peak swap size 8.49 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:25:13 (50884): wrapper (7.9.26016): starting
10:25:13 (50884): 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
10:25:14 (50884): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:25:14 (50884): 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\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 'C:\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
10:44:55 (50884): C:/Windows/system32/cmd.exe exited; CPU time 1157.171875
10:44:55 (50884): 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: 22503371 bytes.
Dumping objects ->
{3835249} normal block at 0x00000259AFC3CF90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835238} normal block at 0x00000259ADE04760, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x00000259ADE046F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835216} normal block at 0x00000259ADE04DF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x00000259ADE04B50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835174} normal block at 0x00000259AFC8A6F0, 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) : {3835161} normal block at 0x00000259ADDFF2A0, 8 bytes long.
 Data: <  I&#174;Y   > 00 00 49 AE 59 02 00 00 
{3833961} normal block at 0x00000259ADDFEB70, 8 bytes long.
 Data: <&#176;&#227;&#185;&#175;Y   > B0 E3 B9 AF 59 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000259ADE00910, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000259ADDF6250, 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 0x00000259ADE05780, 16 bytes long.
 Data: < g&#224;&#173;Y           > 98 67 E0 AD 59 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000259ADE06270, 16 bytes long.
 Data: <pg&#224;&#173;Y           > 70 67 E0 AD 59 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000259ADDFF8E0, 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 0x00000259ADE05D20, 16 bytes long.
 Data: <Hg&#224;&#173;Y           > 48 67 E0 AD 59 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000259ADE061D0, 16 bytes long.
 Data: < g&#224;&#173;Y           > 20 67 E0 AD 59 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000259ADE05D70, 16 bytes long.
 Data: <&#248;f&#224;&#173;Y           > F8 66 E0 AD 59 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000259ADE05C30, 16 bytes long.
 Data: <&#208;f&#224;&#173;Y           > D0 66 E0 AD 59 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000259ADE04920, 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 0x00000259ADE05F00, 16 bytes long.
 Data: < &#230;&#223;&#173;Y           > 18 E6 DF AD 59 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000259ADDFFEE0, 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 0x00000259ADE060E0, 16 bytes long.
 Data: <&#240;&#229;&#223;&#173;Y           > F0 E5 DF AD 59 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000259ADE057D0, 16 bytes long.
 Data: <&#200;&#229;&#223;&#173;Y           > C8 E5 DF AD 59 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000259ADE05BE0, 16 bytes long.
 Data: <&#160;&#229;&#223;&#173;Y           > A0 E5 DF AD 59 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000259ADE05500, 16 bytes long.
 Data: <x&#229;&#223;&#173;Y           > 78 E5 DF AD 59 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000259ADE05910, 16 bytes long.
 Data: <P&#229;&#223;&#173;Y           > 50 E5 DF AD 59 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000259ADE06040, 16 bytes long.
 Data: <(&#229;&#223;&#173;Y           > 28 E5 DF AD 59 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000259ADE002A0, 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 0x00000259ADE05FF0, 16 bytes long.
 Data: < &#229;&#223;&#173;Y           > 00 E5 DF AD 59 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000259ADDFE500, 320 bytes long.
 Data: <&#240;_&#224;&#173;Y   &#160; &#224;&#173;Y   > F0 5F E0 AD 59 02 00 00 A0 02 E0 AD 59 02 00 00 
{276} normal block at 0x00000259ADE063B0, 16 bytes long.
 Data: <&#176;f&#224;&#173;Y           > B0 66 E0 AD 59 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000259ADE058C0, 16 bytes long.
 Data: < f&#224;&#173;Y           > 88 66 E0 AD 59 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000259ADE005A0, 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 0x00000259ADE05B90, 16 bytes long.
 Data: <`f&#224;&#173;Y           > 60 66 E0 AD 59 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000259ADE00660, 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 0x00000259ADE05B40, 16 bytes long.
 Data: <&#168;e&#224;&#173;Y           > A8 65 E0 AD 59 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000259ADE05AF0, 16 bytes long.
 Data: < e&#224;&#173;Y           > 80 65 E0 AD 59 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000259ADE054B0, 16 bytes long.
 Data: <Xe&#224;&#173;Y           > 58 65 E0 AD 59 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000259ADE05E60, 16 bytes long.
 Data: <0e&#224;&#173;Y           > 30 65 E0 AD 59 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000259ADE05EB0, 16 bytes long.
 Data: < e&#224;&#173;Y           > 08 65 E0 AD 59 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000259ADE05A50, 16 bytes long.
 Data: <&#224;d&#224;&#173;Y           > E0 64 E0 AD 59 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000259ADE06360, 16 bytes long.
 Data: <&#176;H&#224;&#173;Y           > B0 48 E0 AD 59 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000259ADE048B0, 40 bytes long.
 Data: <`c&#224;&#173;Y   &#240;&#166;&#200;&#175;Y   > 60 63 E0 AD 59 02 00 00 F0 A6 C8 AF 59 02 00 00 
{262} normal block at 0x00000259ADE055F0, 16 bytes long.
 Data: <&#192;d&#224;&#173;Y           > C0 64 E0 AD 59 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000259ADE05FA0, 16 bytes long.
 Data: < d&#224;&#173;Y           > 98 64 E0 AD 59 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000259ADDFFB80, 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 0x00000259ADE05F50, 16 bytes long.
 Data: <pd&#224;&#173;Y           > 70 64 E0 AD 59 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000259ADE06470, 992 bytes long.
 Data: <P_&#224;&#173;Y    &#251;&#223;&#173;Y   > 50 5F E0 AD 59 02 00 00 80 FB DF AD 59 02 00 00 
{94} normal block at 0x00000259ADDFF880, 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 0x00000259ADDFEB20, 16 bytes long.
 Data: < &#229;&#222;&#173;Y           > 20 E5 DE AD 59 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000259ADDEE520, 40 bytes long.
 Data: < &#235;&#223;&#173;Y    &#248;&#223;&#173;Y   > 20 EB DF AD 59 02 00 00 80 F8 DF AD 59 02 00 00 
{71} normal block at 0x00000259ADDFEFD0, 16 bytes long.
 Data: < &#234; Z&#246;           > 80 EA 17 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000259ADDFF4D0, 16 bytes long.
 Data: <@&#233; Z&#246;           > 40 E9 17 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000259ADDFF020, 16 bytes long.
 Data: <&#248;W Z&#246;           > F8 57 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000259ADDFEF30, 16 bytes long.
 Data: <&#216;W Z&#246;           > D8 57 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000259ADDFECB0, 16 bytes long.
 Data: <P  Z&#246;           > 50 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000259ADDFE7B0, 16 bytes long.
 Data: <0  Z&#246;           > 30 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000259ADDFEA80, 16 bytes long.
 Data: <&#224;  Z&#246;           > E0 02 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000259ADDFEC60, 16 bytes long.
 Data: <   Z&#246;           > 10 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000259ADDFEEE0, 16 bytes long.
 Data: <p  Z&#246;           > 70 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000259ADDFF480, 16 bytes long.
 Data: < &#192; Z&#246;           > 18 C0 12 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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