Task 38681803

Name test_449-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND0512_0
Workunit 31623454
Created 27 Oct 2026, 5:25:33 UTC
Sent 27 Oct 2026, 5:25:37 UTC
Report deadline 1 Nov 2026, 5:25:37 UTC
Received 27 Oct 2026, 6:00:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654906
Run time 33 min 42 sec
CPU time 33 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,343.40 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 703.95 MB
Peak swap size 12.82 GB
Peak disk usage 3.64 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:26:38 (2364): wrapper (7.9.26016): starting
00:26:38 (2364): 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
00:26:39 (2364): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:26:39 (2364): 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\33\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\33\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
00:59:29 (2364): C:/Windows/system32/cmd.exe exited; CPU time 2022.578125
00:59:29 (2364): 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: 32484899 bytes.
Dumping objects ->
{3835543} normal block at 0x000001F8776B3910, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835532} normal block at 0x000001F8776B38A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835521} normal block at 0x000001F8776B3830, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835510} normal block at 0x000001F8776B3A60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835499} normal block at 0x000001F8776B37C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835468} normal block at 0x000001F87944ACA0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x000001F8794AD510, 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) : {3835454} normal block at 0x000001F8776AEDD0, 8 bytes long.
 Data: <  dw&#248;   > 00 00 64 77 F8 01 00 00 
{3834676} normal block at 0x000001F8794AD300, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833941} normal block at 0x000001F8776AF730, 8 bytes long.
 Data: <P&#245;Qy&#248;   > 50 F5 51 79 F8 01 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x000001F8776A55B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F8776A6880, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x000001F8776B4A50, 16 bytes long.
 Data: <&#184;>kw&#248;           > B8 3E 6B 77 F8 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F8776B4AA0, 16 bytes long.
 Data: < >kw&#248;           > 90 3E 6B 77 F8 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F8776B18E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x000001F8776B4500, 16 bytes long.
 Data: <h>kw&#248;           > 68 3E 6B 77 F8 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F8776B40F0, 16 bytes long.
 Data: <@>kw&#248;           > 40 3E 6B 77 F8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F8776B4EB0, 16 bytes long.
 Data: < >kw&#248;           > 18 3E 6B 77 F8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F8776B4C30, 16 bytes long.
 Data: <&#240;=kw&#248;           > F0 3D 6B 77 F8 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F8776B3AD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x000001F8776B4D70, 16 bytes long.
 Data: <H&#240;iw&#248;           > 48 F0 69 77 F8 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F8776B0FE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x000001F8776B4460, 16 bytes long.
 Data: < &#240;iw&#248;           > 20 F0 69 77 F8 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F8776B40A0, 16 bytes long.
 Data: <&#248;&#239;iw&#248;           > F8 EF 69 77 F8 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F8776B42D0, 16 bytes long.
 Data: <&#208;&#239;iw&#248;           > D0 EF 69 77 F8 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F8776B4050, 16 bytes long.
 Data: <&#168;&#239;iw&#248;           > A8 EF 69 77 F8 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F8776B44B0, 16 bytes long.
 Data: < &#239;iw&#248;           > 80 EF 69 77 F8 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F8776B4190, 16 bytes long.
 Data: <X&#239;iw&#248;           > 58 EF 69 77 F8 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F8776B1D00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{268} normal block at 0x000001F8776B4820, 16 bytes long.
 Data: <0&#239;iw&#248;           > 30 EF 69 77 F8 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F87769EF30, 320 bytes long.
 Data: < Hkw&#248;     kw&#248;   > 20 48 6B 77 F8 01 00 00 00 1D 6B 77 F8 01 00 00 
{266} normal block at 0x000001F8776B4960, 16 bytes long.
 Data: <&#208;=kw&#248;           > D0 3D 6B 77 F8 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F8776B4000, 16 bytes long.
 Data: <&#168;=kw&#248;           > A8 3D 6B 77 F8 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F8776B17C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x000001F8776B4E60, 16 bytes long.
 Data: < =kw&#248;           > 80 3D 6B 77 F8 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F8776B0F80, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x000001F8776B4910, 16 bytes long.
 Data: <&#200;<kw&#248;           > C8 3C 6B 77 F8 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F8776B4730, 16 bytes long.
 Data: <&#160;<kw&#248;           > A0 3C 6B 77 F8 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F8776AF1E0, 16 bytes long.
 Data: <x<kw&#248;           > 78 3C 6B 77 F8 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F8776AF9B0, 16 bytes long.
 Data: <P<kw&#248;           > 50 3C 6B 77 F8 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001F8776AF8C0, 16 bytes long.
 Data: <(<kw&#248;           > 28 3C 6B 77 F8 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001F8776AF140, 16 bytes long.
 Data: < <kw&#248;           > 00 3C 6B 77 F8 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001F8776AF0F0, 16 bytes long.
 Data: <&#224;6kw&#248;           > E0 36 6B 77 F8 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001F8776B36E0, 40 bytes long.
 Data: <&#240;&#240;jw&#248;   &#160;&#172;Dy&#248;   > F0 F0 6A 77 F8 01 00 00 A0 AC 44 79 F8 01 00 00 
{252} normal block at 0x000001F8776AF780, 16 bytes long.
 Data: <&#224;;kw&#248;           > E0 3B 6B 77 F8 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001F8776AF050, 16 bytes long.
 Data: <&#184;;kw&#248;           > B8 3B 6B 77 F8 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001F8776B1A00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x000001F8776AEE70, 16 bytes long.
 Data: < ;kw&#248;           > 90 3B 6B 77 F8 01 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x000001F8776B3B90, 992 bytes long.
 Data: <p&#238;jw&#248;     kw&#248;   > 70 EE 6A 77 F8 01 00 00 00 1A 6B 77 F8 01 00 00 
{84} normal block at 0x000001F8776B1700, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x000001F8776AEE20, 16 bytes long.
 Data: <p&#233;jw&#248;           > 70 E9 6A 77 F8 01 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000001F8776AE970, 40 bytes long.
 Data: < &#238;jw&#248;     kw&#248;   > 20 EE 6A 77 F8 01 00 00 00 17 6B 77 F8 01 00 00 
{61} normal block at 0x000001F8776AF4B0, 16 bytes long.
 Data: < &#234;0 &#247;           > 80 EA 30 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F8776AEFB0, 16 bytes long.
 Data: <@&#233;0 &#247;           > 40 E9 30 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001F8776AF190, 16 bytes long.
 Data: <&#248;W- &#247;           > F8 57 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001F8776AF6E0, 16 bytes long.
 Data: <&#216;W- &#247;           > D8 57 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001F8776AF2D0, 16 bytes long.
 Data: <P - &#247;           > 50 04 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001F8776AF0A0, 16 bytes long.
 Data: <0 - &#247;           > 30 04 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001F8776AEF60, 16 bytes long.
 Data: <&#224; - &#247;           > E0 02 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001F8776AEBF0, 16 bytes long.
 Data: <  - &#247;           > 10 04 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000001F8776AEB50, 16 bytes long.
 Data: <p - &#247;           > 70 04 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x000001F8776AED80, 16 bytes long.
 Data: < &#192;+ &#247;           > 18 C0 2B 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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