Task 38687924

Name test_400-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND7124_0
Workunit 31629295
Created 28 Oct 2026, 10:35:37 UTC
Sent 28 Oct 2026, 10:35:44 UTC
Report deadline 2 Nov 2026, 10:35:44 UTC
Received 28 Oct 2026, 12:11:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653191
Run time 24 min 18 sec
CPU time 22 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 737.27 MB
Peak swap size 6.94 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:47:42 (11276): wrapper (7.9.26016): starting
12:47:42 (11276): 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
12:47:43 (11276): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:47:43 (11276): 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\3\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\3\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
13:10:57 (11276): C:/Windows/system32/cmd.exe exited; CPU time 1325.718750
13:10:57 (11276): 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: 21184769 bytes.
Dumping objects ->
{3835601} normal block at 0x0000023C3369CB20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835590} normal block at 0x0000023C3369C7A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835579} normal block at 0x0000023C3369CAB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835568} normal block at 0x0000023C3369C6C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835557} normal block at 0x0000023C31AC46F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835526} normal block at 0x0000023C336E62A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835515} normal block at 0x0000023C336FEAA0, 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) : {3835512} normal block at 0x0000023C31ABEBB0, 8 bytes long.
 Data: <  &#165;1<   > 00 00 A5 31 3C 02 00 00 
{3834713} normal block at 0x0000023C336FE1B0, 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 0x0000023C31ABE480, 8 bytes long.
 Data: <p7t3<   > 70 37 74 33 3C 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000023C31AC04F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000023C31AAF2A0, 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 0x0000023C31AC5AD0, 16 bytes long.
 Data: < c&#172;1<           > 88 63 AC 31 3C 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023C31AC5A80, 16 bytes long.
 Data: <`c&#172;1<           > 60 63 AC 31 3C 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000023C31ABF6E0, 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 0x0000023C31AC5DF0, 16 bytes long.
 Data: <8c&#172;1<           > 38 63 AC 31 3C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023C31AC58A0, 16 bytes long.
 Data: < c&#172;1<           > 10 63 AC 31 3C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023C31AC57B0, 16 bytes long.
 Data: <&#232;b&#172;1<           > E8 62 AC 31 3C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023C31AC5300, 16 bytes long.
 Data: <&#192;b&#172;1<           > C0 62 AC 31 3C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023C31AC4530, 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 0x0000023C31AC52B0, 16 bytes long.
 Data: < &#181;&#170;1<           > 18 B5 AA 31 3C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023C31ABFD40, 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 0x0000023C31AC5260, 16 bytes long.
 Data: <&#240;&#180;&#170;1<           > F0 B4 AA 31 3C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023C31AC5C10, 16 bytes long.
 Data: <&#200;&#180;&#170;1<           > C8 B4 AA 31 3C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023C31AC5BC0, 16 bytes long.
 Data: <&#160;&#180;&#170;1<           > A0 B4 AA 31 3C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023C31AC5B70, 16 bytes long.
 Data: <x&#180;&#170;1<           > 78 B4 AA 31 3C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023C31AC5580, 16 bytes long.
 Data: <P&#180;&#170;1<           > 50 B4 AA 31 3C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023C31AC5170, 16 bytes long.
 Data: <(&#180;&#170;1<           > 28 B4 AA 31 3C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023C31AC0040, 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 0x0000023C31AC50D0, 16 bytes long.
 Data: < &#180;&#170;1<           > 00 B4 AA 31 3C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023C31AAB400, 320 bytes long.
 Data: <&#208;P&#172;1<   @ &#172;1<   > D0 50 AC 31 3C 02 00 00 40 00 AC 31 3C 02 00 00 
{276} normal block at 0x0000023C31AC58F0, 16 bytes long.
 Data: <&#160;b&#172;1<           > A0 62 AC 31 3C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023C31AC5350, 16 bytes long.
 Data: <xb&#172;1<           > 78 62 AC 31 3C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023C31ABF740, 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 0x0000023C31AC4F40, 16 bytes long.
 Data: <Pb&#172;1<           > 50 62 AC 31 3C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023C31ABFF80, 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 0x0000023C31AC5B20, 16 bytes long.
 Data: < a&#172;1<           > 98 61 AC 31 3C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023C31AC4FE0, 16 bytes long.
 Data: <pa&#172;1<           > 70 61 AC 31 3C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023C31AC4F90, 16 bytes long.
 Data: <Ha&#172;1<           > 48 61 AC 31 3C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023C31AC5210, 16 bytes long.
 Data: < a&#172;1<           > 20 61 AC 31 3C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023C31AC54E0, 16 bytes long.
 Data: <&#248;`&#172;1<           > F8 60 AC 31 3C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023C31AC5990, 16 bytes long.
 Data: <&#208;`&#172;1<           > D0 60 AC 31 3C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023C31AC5760, 16 bytes long.
 Data: <PD&#172;1<           > 50 44 AC 31 3C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023C31AC4450, 40 bytes long.
 Data: <`W&#172;1<   &#160;bn3<   > 60 57 AC 31 3C 02 00 00 A0 62 6E 33 3C 02 00 00 
{262} normal block at 0x0000023C31AC5120, 16 bytes long.
 Data: <&#176;`&#172;1<           > B0 60 AC 31 3C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023C31AC56C0, 16 bytes long.
 Data: < `&#172;1<           > 88 60 AC 31 3C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000023C31ABF9E0, 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 0x0000023C31AC5850, 16 bytes long.
 Data: <``&#172;1<           > 60 60 AC 31 3C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000023C31AC6060, 992 bytes long.
 Data: <PX&#172;1<   &#224;&#249;&#171;1<   > 50 58 AC 31 3C 02 00 00 E0 F9 AB 31 3C 02 00 00 
{94} normal block at 0x0000023C31ABF2C0, 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 0x0000023C31ABEF70, 16 bytes long.
 Data: <@H&#172;1<           > 40 48 AC 31 3C 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000023C31AC4840, 40 bytes long.
 Data: <p&#239;&#171;1<   &#192;&#242;&#171;1<   > 70 EF AB 31 3C 02 00 00 C0 F2 AB 31 3C 02 00 00 
{71} normal block at 0x0000023C31ABE6B0, 16 bytes long.
 Data: < &#234;&#148; &#246;           > 80 EA 94 7F F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000023C31ABE520, 16 bytes long.
 Data: <@&#233;&#148; &#246;           > 40 E9 94 7F F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000023C31ABF100, 16 bytes long.
 Data: <&#248;W&#145; &#246;           > F8 57 91 7F F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023C31ABE7F0, 16 bytes long.
 Data: <&#216;W&#145; &#246;           > D8 57 91 7F F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023C31ABEA70, 16 bytes long.
 Data: <P &#145; &#246;           > 50 04 91 7F F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023C31ABE4D0, 16 bytes long.
 Data: <0 &#145; &#246;           > 30 04 91 7F F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023C31ABE890, 16 bytes long.
 Data: <&#224; &#145; &#246;           > E0 02 91 7F F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023C31ABEA20, 16 bytes long.
 Data: <  &#145; &#246;           > 10 04 91 7F F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023C31ABEDE0, 16 bytes long.
 Data: <p &#145; &#246;           > 70 04 91 7F F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000023C31ABE8E0, 16 bytes long.
 Data: < &#192;&#143; &#246;           > 18 C0 8F 7F F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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