Task 38665858

Name test_812-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND7103_0
Workunit 31608905
Created 25 Oct 2026, 1:40:16 UTC
Sent 25 Oct 2026, 2:38:06 UTC
Report deadline 30 Oct 2026, 2:38:06 UTC
Received 25 Oct 2026, 20:58:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 562809
Run time 17 hours 32 min 44 sec
CPU time 17 hours 14 min 48 sec
Validate state Valid
Credit 600,000.00
Device peak FLOPS 9,255.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 667.41 MB
Peak swap size 5.20 GB
Peak disk usage 3.63 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:28:05 (12052): wrapper (7.9.26016): starting
21:28:05 (12052): 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
21:28:07 (12052): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:28:07 (12052): 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\12\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\12\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
14:57:07 (12052): C:/Windows/system32/cmd.exe exited; CPU time 62088.984375
14:57:07 (12052): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 736985513 bytes.
Dumping objects ->
{3835251} normal block at 0x00000286E2AF08B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x00000286E2AF07D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x00000286E2AF0D80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835218} normal block at 0x00000286E2AF0920, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x00000286E2AF0C30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835176} normal block at 0x00000286E2B9C8C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x00000286E1012A30, 235 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) : {3835162} normal block at 0x00000286E1006940, 8 bytes long.
 Data: <  &#251;&#224;&#134;   > 00 00 FB E0 86 02 00 00 
{3834555} normal block at 0x00000286E1012C90, 235 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 0x00000286E1006E40, 8 bytes long.
 Data: <&#192; &#176;&#226;&#134;   > C0 10 B0 E2 86 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x00000286E100FE90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000286E0FFAE00, 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 0x00000286E10116A0, 16 bytes long.
 Data: < 3 &#225;&#134;           > 98 33 01 E1 86 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000286E1010F20, 16 bytes long.
 Data: <p3 &#225;&#134;           > 70 33 01 E1 86 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000286E100C520, 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 0x00000286E1010DE0, 16 bytes long.
 Data: <H3 &#225;&#134;           > 48 33 01 E1 86 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000286E1011BF0, 16 bytes long.
 Data: < 3 &#225;&#134;           > 20 33 01 E1 86 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000286E1010ED0, 16 bytes long.
 Data: <&#248;2 &#225;&#134;           > F8 32 01 E1 86 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000286E1011650, 16 bytes long.
 Data: <&#208;2 &#225;&#134;           > D0 32 01 E1 86 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000286E100B220, 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 0x00000286E1011B50, 16 bytes long.
 Data: <&#216;Z&#255;&#224;&#134;           > D8 5A FF E0 86 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000286E100CBE0, 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 0x00000286E1011BA0, 16 bytes long.
 Data: <&#176;Z&#255;&#224;&#134;           > B0 5A FF E0 86 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000286E10110B0, 16 bytes long.
 Data: < Z&#255;&#224;&#134;           > 88 5A FF E0 86 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000286E1011420, 16 bytes long.
 Data: <`Z&#255;&#224;&#134;           > 60 5A FF E0 86 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000286E1010D40, 16 bytes long.
 Data: <8Z&#255;&#224;&#134;           > 38 5A FF E0 86 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000286E1011A60, 16 bytes long.
 Data: < Z&#255;&#224;&#134;           > 10 5A FF E0 86 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000286E10119C0, 16 bytes long.
 Data: <&#232;Y&#255;&#224;&#134;           > E8 59 FF E0 86 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000286E100D000, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{270} normal block at 0x00000286E1011970, 16 bytes long.
 Data: <&#192;Y&#255;&#224;&#134;           > C0 59 FF E0 86 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000286E0FF59C0, 320 bytes long.
 Data: <p  &#225;&#134;    &#208; &#225;&#134;   > 70 19 01 E1 86 02 00 00 00 D0 00 E1 86 02 00 00 
{268} normal block at 0x00000286E10112E0, 16 bytes long.
 Data: <&#176;2 &#225;&#134;           > B0 32 01 E1 86 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000286E10116F0, 16 bytes long.
 Data: < 2 &#225;&#134;           > 88 32 01 E1 86 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000286E100CCA0, 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 0x00000286E1011920, 16 bytes long.
 Data: <`2 &#225;&#134;           > 60 32 01 E1 86 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000286E100CFA0, 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 0x00000286E1011A10, 16 bytes long.
 Data: <&#168;1 &#225;&#134;           > A8 31 01 E1 86 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000286E1011790, 16 bytes long.
 Data: < 1 &#225;&#134;           > 80 31 01 E1 86 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000286E10113D0, 16 bytes long.
 Data: <X1 &#225;&#134;           > 58 31 01 E1 86 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000286E1011600, 16 bytes long.
 Data: <01 &#225;&#134;           > 30 31 01 E1 86 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000286E10115B0, 16 bytes long.
 Data: < 1 &#225;&#134;           > 08 31 01 E1 86 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000286E1011880, 16 bytes long.
 Data: <&#224;0 &#225;&#134;           > E0 30 01 E1 86 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000286E1011470, 16 bytes long.
 Data: <0&#181; &#225;&#134;           > 30 B5 00 E1 86 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000286E100B530, 40 bytes long.
 Data: <p  &#225;&#134;   &#192;&#200;&#185;&#226;&#134;   > 70 14 01 E1 86 02 00 00 C0 C8 B9 E2 86 02 00 00 
{254} normal block at 0x00000286E1010CF0, 16 bytes long.
 Data: <&#192;0 &#225;&#134;           > C0 30 01 E1 86 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000286E1011B00, 16 bytes long.
 Data: < 0 &#225;&#134;           > 98 30 01 E1 86 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000286E100C3A0, 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 0x00000286E1011830, 16 bytes long.
 Data: <p0 &#225;&#134;           > 70 30 01 E1 86 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x00000286E1013070, 992 bytes long.
 Data: <0  &#225;&#134;   &#160;&#195; &#225;&#134;   > 30 18 01 E1 86 02 00 00 A0 C3 00 E1 86 02 00 00 
{86} normal block at 0x00000286E100CD00, 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 0x00000286E10067B0, 16 bytes long.
 Data: <&#176;&#177; &#225;&#134;           > B0 B1 00 E1 86 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x00000286E100B1B0, 40 bytes long.
 Data: <&#176;g &#225;&#134;    &#205; &#225;&#134;   > B0 67 00 E1 86 02 00 00 00 CD 00 E1 86 02 00 00 
{63} normal block at 0x00000286E1006B20, 16 bytes long.
 Data: < &#234;&&#243;&#247;           > 80 EA 26 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000286E1006850, 16 bytes long.
 Data: <@&#233;&&#243;&#247;           > 40 E9 26 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000286E1006F80, 16 bytes long.
 Data: <&#248;W#&#243;&#247;           > F8 57 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000286E10068F0, 16 bytes long.
 Data: <&#216;W#&#243;&#247;           > D8 57 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000286E1006670, 16 bytes long.
 Data: <P #&#243;&#247;           > 50 04 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000286E1006440, 16 bytes long.
 Data: <0 #&#243;&#247;           > 30 04 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000286E1006350, 16 bytes long.
 Data: <&#224; #&#243;&#247;           > E0 02 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000286E10064E0, 16 bytes long.
 Data: <  #&#243;&#247;           > 10 04 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000286E1006DF0, 16 bytes long.
 Data: <p #&#243;&#247;           > 70 04 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000286E1006300, 16 bytes long.
 Data: < &#192;!&#243;&#247;           > 18 C0 21 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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