Task 38680689

Name test_666-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND5125_1
Workunit 31622280
Created 27 Oct 2026, 0:52:31 UTC
Sent 27 Oct 2026, 0:52:41 UTC
Report deadline 1 Nov 2026, 0:52:41 UTC
Received 27 Oct 2026, 2:07:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615292
Run time 31 min 11 sec
CPU time 25 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,314.97 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 673.83 MB
Peak swap size 6.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:53:36 (22312): wrapper (7.9.26016): starting
18:53:36 (22312): 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
18:53:37 (22312): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:53:37 (22312): 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\0\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\0\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
19:24:00 (22312): C:/Windows/system32/cmd.exe exited; CPU time 1557.125000
19:24:00 (22312): 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: 28929855 bytes.
Dumping objects ->
{3835228} normal block at 0x00000192B31361C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835217} normal block at 0x00000192B3136150, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x00000192B31360E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835195} normal block at 0x00000192B3136070, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x00000192B3136690, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835153} normal block at 0x00000192B4C96830, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835142} normal block at 0x00000192B4CAFB80, 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) : {3835139} normal block at 0x00000192B312E480, 8 bytes long.
 Data: <  ^&#179;&#146;   > 00 00 5E B3 92 01 00 00 
{3834539} normal block at 0x00000192B4CB03C0, 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 0x00000192B312EAC0, 8 bytes long.
 Data: <Pa&#207;&#180;&#146;   > 50 61 CF B4 92 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000192B3130860, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000192B311EB40, 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 0x00000192B3137100, 16 bytes long.
 Data: <H~ &#179;&#146;           > 48 7E 13 B3 92 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000192B31378D0, 16 bytes long.
 Data: < ~ &#179;&#146;           > 20 7E 13 B3 92 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000192B312FF10, 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 0x00000192B3137880, 16 bytes long.
 Data: <&#248;} &#179;&#146;           > F8 7D 13 B3 92 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000192B3137830, 16 bytes long.
 Data: <&#208;} &#179;&#146;           > D0 7D 13 B3 92 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000192B31376F0, 16 bytes long.
 Data: <&#168;} &#179;&#146;           > A8 7D 13 B3 92 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000192B3137650, 16 bytes long.
 Data: < } &#179;&#146;           > 80 7D 13 B3 92 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000192B3136230, 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 0x00000192B3137600, 16 bytes long.
 Data: <x&#181; &#179;&#146;           > 78 B5 11 B3 92 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000192B312FE50, 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 0x00000192B3137060, 16 bytes long.
 Data: <P&#181; &#179;&#146;           > 50 B5 11 B3 92 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000192B31370B0, 16 bytes long.
 Data: <(&#181; &#179;&#146;           > 28 B5 11 B3 92 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000192B31373D0, 16 bytes long.
 Data: < &#181; &#179;&#146;           > 00 B5 11 B3 92 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000192B31375B0, 16 bytes long.
 Data: <&#216;&#180; &#179;&#146;           > D8 B4 11 B3 92 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000192B31377E0, 16 bytes long.
 Data: <&#176;&#180; &#179;&#146;           > B0 B4 11 B3 92 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000192B3136E80, 16 bytes long.
 Data: < &#180; &#179;&#146;           > 88 B4 11 B3 92 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000192B312FD30, 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 0x00000192B3137790, 16 bytes long.
 Data: <`&#180; &#179;&#146;           > 60 B4 11 B3 92 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000192B311B460, 320 bytes long.
 Data: < w &#179;&#146;   0&#253; &#179;&#146;   > 90 77 13 B3 92 01 00 00 30 FD 12 B3 92 01 00 00 
{276} normal block at 0x00000192B3137740, 16 bytes long.
 Data: <`} &#179;&#146;           > 60 7D 13 B3 92 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000192B3137330, 16 bytes long.
 Data: <8} &#179;&#146;           > 38 7D 13 B3 92 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000192B312F4F0, 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 0x00000192B3136B60, 16 bytes long.
 Data: < } &#179;&#146;           > 10 7D 13 B3 92 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000192B312F370, 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 0x00000192B3137380, 16 bytes long.
 Data: <X| &#179;&#146;           > 58 7C 13 B3 92 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000192B31372E0, 16 bytes long.
 Data: <0| &#179;&#146;           > 30 7C 13 B3 92 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000192B3137970, 16 bytes long.
 Data: < | &#179;&#146;           > 08 7C 13 B3 92 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000192B3136E30, 16 bytes long.
 Data: <&#224;{ &#179;&#146;           > E0 7B 13 B3 92 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000192B3137560, 16 bytes long.
 Data: <&#184;{ &#179;&#146;           > B8 7B 13 B3 92 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000192B3137240, 16 bytes long.
 Data: < { &#179;&#146;           > 90 7B 13 B3 92 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000192B3136DE0, 16 bytes long.
 Data: < g &#179;&#146;           > 00 67 13 B3 92 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000192B3136700, 40 bytes long.
 Data: <&#224;m &#179;&#146;   0h&#201;&#180;&#146;   > E0 6D 13 B3 92 01 00 00 30 68 C9 B4 92 01 00 00 
{262} normal block at 0x00000192B3137010, 16 bytes long.
 Data: <p{ &#179;&#146;           > 70 7B 13 B3 92 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000192B3137510, 16 bytes long.
 Data: <H{ &#179;&#146;           > 48 7B 13 B3 92 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000192B312FDF0, 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 0x00000192B3136D90, 16 bytes long.
 Data: < { &#179;&#146;           > 20 7B 13 B3 92 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000192B3137B20, 992 bytes long.
 Data: < m &#179;&#146;   &#240;&#253; &#179;&#146;   > 90 6D 13 B3 92 01 00 00 F0 FD 12 B3 92 01 00 00 
{94} normal block at 0x00000192B312FEB0, 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 0x00000192B312E700, 16 bytes long.
 Data: <0&#254; &#179;&#146;           > 30 FE 11 B3 92 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000192B311FE30, 40 bytes long.
 Data: < &#231; &#179;&#146;   &#176;&#254; &#179;&#146;   > 00 E7 12 B3 92 01 00 00 B0 FE 12 B3 92 01 00 00 
{71} normal block at 0x00000192B312E750, 16 bytes long.
 Data: < &#234;&#151; &#246;           > 80 EA 97 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000192B312EBB0, 16 bytes long.
 Data: <@&#233;&#151; &#246;           > 40 E9 97 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000192B312E6B0, 16 bytes long.
 Data: <&#248;W&#148; &#246;           > F8 57 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000192B312E8E0, 16 bytes long.
 Data: <&#216;W&#148; &#246;           > D8 57 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000192B312E2F0, 16 bytes long.
 Data: <P &#148; &#246;           > 50 04 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000192B312E930, 16 bytes long.
 Data: <0 &#148; &#246;           > 30 04 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000192B312EFC0, 16 bytes long.
 Data: <&#224; &#148; &#246;           > E0 02 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000192B312EB10, 16 bytes long.
 Data: <  &#148; &#246;           > 10 04 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000192B312E7A0, 16 bytes long.
 Data: <p &#148; &#246;           > 70 04 94 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000192B312EE30, 16 bytes long.
 Data: < &#192;&#146; &#246;           > 18 C0 92 0D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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