Task 38689492

Name test_195-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND7941_1
Workunit 31630089
Created 28 Oct 2026, 21:20:45 UTC
Sent 28 Oct 2026, 21:20:47 UTC
Report deadline 2 Nov 2026, 21:20:47 UTC
Received 28 Oct 2026, 23:40:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618719
Run time 2 hours 1 min 25 sec
CPU time 1 hours 54 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,538.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 653.65 MB
Peak swap size 2.21 GB
Peak disk usage 4.14 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
22:38:33 (8368): wrapper (7.9.26016): starting
22:38:33 (8368): 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
22:38:36 (8368): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:38:37 (8368): 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
00:35:41 (8368): C:/Windows/system32/cmd.exe exited; CPU time 6873.343750
00:35:41 (8368): called boinc_finish(0)
0 bytes in 0 Free Blocks.
546 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: 73638943 bytes.
Dumping objects ->
{3835251} normal block at 0x000001E724963EE0, 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 0x000001E724964490, 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 0x000001E724963E70, 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 0x000001E724964B90, 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 0x000001E724963F50, 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 0x000001E7263DDB10, 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 0x000001E724966300, 145 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 0x000001E72493FE40, 8 bytes long.
 Data: <  &#140;$&#231;   > 00 00 8C 24 E7 01 00 00 
{3834548} normal block at 0x000001E724966B20, 145 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x000001E724940070, 8 bytes long.
 Data: <`&#142;C&&#231;   > 60 8E 43 26 E7 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001E724940A00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E724925CB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000001E724935D70, 16 bytes long.
 Data: <X &#148;$&#231;           > 58 1B 94 24 E7 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E724935C30, 16 bytes long.
 Data: <0 &#148;$&#231;           > 30 1B 94 24 E7 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E724937150, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000001E724935A50, 16 bytes long.
 Data: <  &#148;$&#231;           > 08 1B 94 24 E7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E724935EB0, 16 bytes long.
 Data: <&#224; &#148;$&#231;           > E0 1A 94 24 E7 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E724935A00, 16 bytes long.
 Data: <&#184; &#148;$&#231;           > B8 1A 94 24 E7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E724935910, 16 bytes long.
 Data: <  &#148;$&#231;           > 90 1A 94 24 E7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E72493BC10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000001E724935870, 16 bytes long.
 Data: <H\&#146;$&#231;           > 48 5C 92 24 E7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E724937090, 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 0x000001E7249359B0, 16 bytes long.
 Data: < \&#146;$&#231;           > 20 5C 92 24 E7 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E724936770, 16 bytes long.
 Data: <&#248;[&#146;$&#231;           > F8 5B 92 24 E7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E724936360, 16 bytes long.
 Data: <&#208;[&#146;$&#231;           > D0 5B 92 24 E7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E724936310, 16 bytes long.
 Data: <&#168;[&#146;$&#231;           > A8 5B 92 24 E7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E72493FA80, 16 bytes long.
 Data: < [&#146;$&#231;           > 80 5B 92 24 E7 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E72493FB20, 16 bytes long.
 Data: <X[&#146;$&#231;           > 58 5B 92 24 E7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E7249376F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000001E72493FF80, 16 bytes long.
 Data: <0[&#146;$&#231;           > 30 5B 92 24 E7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E724925B30, 320 bytes long.
 Data: < &#255;&#147;$&#231;   &#240;v&#147;$&#231;   > 80 FF 93 24 E7 01 00 00 F0 76 93 24 E7 01 00 00 
{268} normal block at 0x000001E724940160, 16 bytes long.
 Data: <p &#148;$&#231;           > 70 1A 94 24 E7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E72493FE90, 16 bytes long.
 Data: <H &#148;$&#231;           > 48 1A 94 24 E7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E724936F10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000001E72493FDF0, 16 bytes long.
 Data: <  &#148;$&#231;           > 20 1A 94 24 E7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E724937690, 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 0x000001E72493FFD0, 16 bytes long.
 Data: <h &#148;$&#231;           > 68 19 94 24 E7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E72493FC10, 16 bytes long.
 Data: <@ &#148;$&#231;           > 40 19 94 24 E7 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E72493FF30, 16 bytes long.
 Data: <  &#148;$&#231;           > 18 19 94 24 E7 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E72493FDA0, 16 bytes long.
 Data: <&#240; &#148;$&#231;           > F0 18 94 24 E7 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001E7249400C0, 16 bytes long.
 Data: <&#200; &#148;$&#231;           > C8 18 94 24 E7 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E72493FCB0, 16 bytes long.
 Data: <&#160; &#148;$&#231;           > A0 18 94 24 E7 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001E724940020, 16 bytes long.
 Data: <&#224;&#185;&#147;$&#231;           > E0 B9 93 24 E7 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001E72493B9E0, 40 bytes long.
 Data: <  &#148;$&#231;    &#219;=&&#231;   > 20 00 94 24 E7 01 00 00 10 DB 3D 26 E7 01 00 00 
{254} normal block at 0x000001E72493FEE0, 16 bytes long.
 Data: <  &#148;$&#231;           > 80 18 94 24 E7 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001E72493FC60, 16 bytes long.
 Data: <X &#148;$&#231;           > 58 18 94 24 E7 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001E724937570, 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 0x000001E72493FBC0, 16 bytes long.
 Data: <0 &#148;$&#231;           > 30 18 94 24 E7 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001E724941830, 992 bytes long.
 Data: <&#192;&#251;&#147;$&#231;   pu&#147;$&#231;   > C0 FB 93 24 E7 01 00 00 70 75 93 24 E7 01 00 00 
{86} normal block at 0x000001E724937450, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000001E7249366D0, 16 bytes long.
 Data: <0&#187;&#147;$&#231;           > 30 BB 93 24 E7 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001E72493BB30, 40 bytes long.
 Data: <&#208;f&#147;$&#231;   Pt&#147;$&#231;   > D0 66 93 24 E7 01 00 00 50 74 93 24 E7 01 00 00 
{63} normal block at 0x000001E7249360E0, 16 bytes long.
 Data: < &#234; t&#247;           > 80 EA 1B 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E724935F00, 16 bytes long.
 Data: <@&#233; t&#247;           > 40 E9 1B 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E724935B90, 16 bytes long.
 Data: <&#248;W t&#247;           > F8 57 18 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001E724935F50, 16 bytes long.
 Data: <&#216;W t&#247;           > D8 57 18 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001E7249363B0, 16 bytes long.
 Data: <P  t&#247;           > 50 04 18 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001E724936180, 16 bytes long.
 Data: <0  t&#247;           > 30 04 18 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001E724935AA0, 16 bytes long.
 Data: <&#224;  t&#247;           > E0 02 18 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001E724935B40, 16 bytes long.
 Data: <   t&#247;           > 10 04 18 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001E724936090, 16 bytes long.
 Data: <p  t&#247;           > 70 04 18 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001E724935C80, 16 bytes long.
 Data: < &#192; t&#247;           > 18 C0 16 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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