Task 38683964

Name test_285-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND8717_0
Workunit 31625497
Created 27 Oct 2026, 14:06:47 UTC
Sent 27 Oct 2026, 14:06:53 UTC
Report deadline 1 Nov 2026, 14:06:53 UTC
Received 27 Oct 2026, 15:45:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 639498
Run time 1 hours 36 min 41 sec
CPU time 1 hours 23 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,085.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 664.73 MB
Peak swap size 2.22 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:10:12 (4404): wrapper (7.9.26016): starting
08:10:12 (4404): 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
08:10:14 (4404): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:10:14 (4404): 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\2\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\2\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
09:44:40 (4404): C:/Windows/system32/cmd.exe exited; CPU time 5017.140625
09:44:40 (4404): 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: 62662553 bytes.
Dumping objects ->
{3835279} normal block at 0x000001B00F6D0FB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835268} normal block at 0x000001B00F6D0E60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835257} normal block at 0x000001B00F6D12C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835246} normal block at 0x000001B00F6D14F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835235} normal block at 0x000001B00F6D0A00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835204} normal block at 0x000001B00F77D110, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835193} normal block at 0x000001B00DCE4350, 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) : {3835190} normal block at 0x000001B00DCD8100, 8 bytes long.
 Data: <  &#202; &#176;   > 00 00 CA 0D B0 01 00 00 
{3834573} normal block at 0x000001B00DCE4220, 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 0x000001B00DCD7D40, 8 bytes long.
 Data: <&#240;&#147;  &#176;   > F0 93 81 0F B0 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001B00DCE15F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B00DCE2530, 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 0x000001B00DCE29F0, 16 bytes long.
 Data: <&#216;J&#206; &#176;           > D8 4A CE 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B00DCE29A0, 16 bytes long.
 Data: <&#176;J&#206; &#176;           > B0 4A CE 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B00DCDEDD0, 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 0x000001B00DCE2950, 16 bytes long.
 Data: < J&#206; &#176;           > 88 4A CE 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B00DCE33F0, 16 bytes long.
 Data: <`J&#206; &#176;           > 60 4A CE 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B00DCE32B0, 16 bytes long.
 Data: <8J&#206; &#176;           > 38 4A CE 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B00DCE3080, 16 bytes long.
 Data: < J&#206; &#176;           > 10 4A CE 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B00DCDD8D0, 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 0x000001B00DCE3260, 16 bytes long.
 Data: <&#200;$&#206; &#176;           > C8 24 CE 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B00DCDE2F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000001B00DCE2FE0, 16 bytes long.
 Data: <&#160;$&#206; &#176;           > A0 24 CE 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B00DCE2F90, 16 bytes long.
 Data: <x$&#206; &#176;           > 78 24 CE 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B00DCE2810, 16 bytes long.
 Data: <P$&#206; &#176;           > 50 24 CE 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B00DCE2F40, 16 bytes long.
 Data: <($&#206; &#176;           > 28 24 CE 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B00DCE2B30, 16 bytes long.
 Data: < $&#206; &#176;           > 00 24 CE 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B00DCE2EF0, 16 bytes long.
 Data: <&#216;#&#206; &#176;           > D8 23 CE 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B00DCDE110, 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 0x000001B00DCE2E00, 16 bytes long.
 Data: <&#176;#&#206; &#176;           > B0 23 CE 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B00DCE23B0, 320 bytes long.
 Data: < .&#206; &#176;    &#225;&#205; &#176;   > 00 2E CE 0D B0 01 00 00 10 E1 CD 0D B0 01 00 00 
{268} normal block at 0x000001B00DCE28B0, 16 bytes long.
 Data: <&#240;I&#206; &#176;           > F0 49 CE 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B00DCE2D60, 16 bytes long.
 Data: <&#200;I&#206; &#176;           > C8 49 CE 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B00DCDE5F0, 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 0x000001B00DCE27C0, 16 bytes long.
 Data: <&#160;I&#206; &#176;           > A0 49 CE 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B00DCDEB90, 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 0x000001B00DCE34E0, 16 bytes long.
 Data: <&#232;H&#206; &#176;           > E8 48 CE 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B00DCE2E50, 16 bytes long.
 Data: <&#192;H&#206; &#176;           > C0 48 CE 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B00DCE2AE0, 16 bytes long.
 Data: < H&#206; &#176;           > 98 48 CE 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B00DCE2720, 16 bytes long.
 Data: <pH&#206; &#176;           > 70 48 CE 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B00DCE2D10, 16 bytes long.
 Data: <HH&#206; &#176;           > 48 48 CE 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B00DCE2CC0, 16 bytes long.
 Data: < H&#206; &#176;           > 20 48 CE 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001B00DCE3170, 16 bytes long.
 Data: < &#218;&#205; &#176;           > 90 DA CD 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001B00DCDDA90, 40 bytes long.
 Data: <p1&#206; &#176;    &#209;w &#176;   > 70 31 CE 0D B0 01 00 00 10 D1 77 0F B0 01 00 00 
{254} normal block at 0x000001B00DCE2C70, 16 bytes long.
 Data: < H&#206; &#176;           > 00 48 CE 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001B00DCE2C20, 16 bytes long.
 Data: <&#216;G&#206; &#176;           > D8 47 CE 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001B00DCDEAD0, 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 0x000001B00DCE33A0, 16 bytes long.
 Data: <&#176;G&#206; &#176;           > B0 47 CE 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001B00DCE47B0, 992 bytes long.
 Data: <&#160;3&#206; &#176;   &#208;&#234;&#205; &#176;   > A0 33 CE 0D B0 01 00 00 D0 EA CD 0D B0 01 00 00 
{86} normal block at 0x000001B00DCDE950, 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 0x000001B00DCD75C0, 16 bytes long.
 Data: <&#176;&#217;&#205; &#176;           > B0 D9 CD 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001B00DCDD9B0, 40 bytes long.
 Data: <&#192;u&#205; &#176;   P&#233;&#205; &#176;   > C0 75 CD 0D B0 01 00 00 50 E9 CD 0D B0 01 00 00 
{63} normal block at 0x000001B00DCD7930, 16 bytes long.
 Data: < &#234;&#237;f&#247;           > 80 EA ED 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B00DCD7430, 16 bytes long.
 Data: <@&#233;&#237;f&#247;           > 40 E9 ED 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001B00DCD7CF0, 16 bytes long.
 Data: <&#248;W&#234;f&#247;           > F8 57 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001B00DCD7750, 16 bytes long.
 Data: <&#216;W&#234;f&#247;           > D8 57 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001B00DCD7CA0, 16 bytes long.
 Data: <P &#234;f&#247;           > 50 04 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001B00DCD7B10, 16 bytes long.
 Data: <0 &#234;f&#247;           > 30 04 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001B00DCD7610, 16 bytes long.
 Data: <&#224; &#234;f&#247;           > E0 02 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001B00DCD7ED0, 16 bytes long.
 Data: <  &#234;f&#247;           > 10 04 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001B00DCD74D0, 16 bytes long.
 Data: <p &#234;f&#247;           > 70 04 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001B00DCD8330, 16 bytes long.
 Data: < &#192;&#232;f&#247;           > 18 C0 E8 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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