Task 38682055

Name test_875-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND9650_0
Workunit 31623690
Created 27 Oct 2026, 6:24:37 UTC
Sent 27 Oct 2026, 6:24:42 UTC
Report deadline 1 Nov 2026, 6:24:42 UTC
Received 27 Oct 2026, 11:24:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 639498
Run time 1 hours 39 min 14 sec
CPU time 1 hours 23 min 11 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 677.36 MB
Peak swap size 2.22 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:47:01 (4656): wrapper (7.9.26016): starting
03:47:01 (4656): 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
03:47:04 (4656): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:47:04 (4656): 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\6\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\6\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
05:23:58 (4656): C:/Windows/system32/cmd.exe exited; CPU time 4991.296875
05:23:58 (4656): 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: 64189867 bytes.
Dumping objects ->
{3835279} normal block at 0x000001CA5B481410, 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 0x000001CA5B480ED0, 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 0x000001CA5B480840, 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 0x000001CA5B481020, 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 0x000001CA5B481170, 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 0x000001CA5B5FC780, 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 0x000001CA59A136F0, 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 0x000001CA59A07360, 8 bytes long.
 Data: <  I[&#202;   > 00 00 49 5B CA 01 00 00 
{3834573} normal block at 0x000001CA59A13BB0, 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 0x000001CA59A07220, 8 bytes long.
 Data: < DH[&#202;   > 00 44 48 5B CA 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001CA59A11570, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001CA59A124B0, 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 0x000001CA59A134B0, 16 bytes long.
 Data: <&#168;H&#161;Y&#202;           > A8 48 A1 59 CA 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001CA59A13460, 16 bytes long.
 Data: < H&#161;Y&#202;           > 80 48 A1 59 CA 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001CA59A0DA10, 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 0x000001CA59A12790, 16 bytes long.
 Data: <XH&#161;Y&#202;           > 58 48 A1 59 CA 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001CA59A12C40, 16 bytes long.
 Data: <0H&#161;Y&#202;           > 30 48 A1 59 CA 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001CA59A12BF0, 16 bytes long.
 Data: < H&#161;Y&#202;           > 08 48 A1 59 CA 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001CA59A13320, 16 bytes long.
 Data: <&#224;G&#161;Y&#202;           > E0 47 A1 59 CA 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001CA59A0CCA0, 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 0x000001CA59A132D0, 16 bytes long.
 Data: <H$&#161;Y&#202;           > 48 24 A1 59 CA 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001CA59A0D290, 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 0x000001CA59A13370, 16 bytes long.
 Data: < $&#161;Y&#202;           > 20 24 A1 59 CA 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001CA59A12FB0, 16 bytes long.
 Data: <&#248;#&#161;Y&#202;           > F8 23 A1 59 CA 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001CA59A12740, 16 bytes long.
 Data: <&#208;#&#161;Y&#202;           > D0 23 A1 59 CA 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001CA59A12E20, 16 bytes long.
 Data: <&#168;#&#161;Y&#202;           > A8 23 A1 59 CA 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001CA59A12F60, 16 bytes long.
 Data: < #&#161;Y&#202;           > 80 23 A1 59 CA 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001CA59A13280, 16 bytes long.
 Data: <X#&#161;Y&#202;           > 58 23 A1 59 CA 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001CA59A0D650, 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 0x000001CA59A126A0, 16 bytes long.
 Data: <0#&#161;Y&#202;           > 30 23 A1 59 CA 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001CA59A12330, 320 bytes long.
 Data: <&#160;&&#161;Y&#202;   P&#214;&#160;Y&#202;   > A0 26 A1 59 CA 01 00 00 50 D6 A0 59 CA 01 00 00 
{268} normal block at 0x000001CA59A13230, 16 bytes long.
 Data: <&#192;G&#161;Y&#202;           > C0 47 A1 59 CA 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001CA59A12880, 16 bytes long.
 Data: < G&#161;Y&#202;           > 98 47 A1 59 CA 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001CA59A0DF50, 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 0x000001CA59A12A60, 16 bytes long.
 Data: <pG&#161;Y&#202;           > 70 47 A1 59 CA 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001CA59A0DE30, 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 0x000001CA59A126F0, 16 bytes long.
 Data: <&#184;F&#161;Y&#202;           > B8 46 A1 59 CA 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001CA59A13140, 16 bytes long.
 Data: < F&#161;Y&#202;           > 90 46 A1 59 CA 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001CA59A12D30, 16 bytes long.
 Data: <hF&#161;Y&#202;           > 68 46 A1 59 CA 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001CA59A12830, 16 bytes long.
 Data: <@F&#161;Y&#202;           > 40 46 A1 59 CA 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001CA59A12970, 16 bytes long.
 Data: < F&#161;Y&#202;           > 18 46 A1 59 CA 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001CA59A12650, 16 bytes long.
 Data: <&#240;E&#161;Y&#202;           > F0 45 A1 59 CA 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001CA59A12DD0, 16 bytes long.
 Data: <&#240;&#205;&#160;Y&#202;           > F0 CD A0 59 CA 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001CA59A0CDF0, 40 bytes long.
 Data: <&#208;-&#161;Y&#202;    &#199;_[&#202;   > D0 2D A1 59 CA 01 00 00 80 C7 5F 5B CA 01 00 00 
{254} normal block at 0x000001CA59A12EC0, 16 bytes long.
 Data: <&#208;E&#161;Y&#202;           > D0 45 A1 59 CA 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001CA59A12920, 16 bytes long.
 Data: <&#168;E&#161;Y&#202;           > A8 45 A1 59 CA 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001CA59A0D470, 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 0x000001CA59A125B0, 16 bytes long.
 Data: < E&#161;Y&#202;           > 80 45 A1 59 CA 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001CA59A14580, 992 bytes long.
 Data: <&#176;%&#161;Y&#202;   p&#212;&#160;Y&#202;   > B0 25 A1 59 CA 01 00 00 70 D4 A0 59 CA 01 00 00 
{86} normal block at 0x000001CA59A0D170, 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 0x000001CA59A06730, 16 bytes long.
 Data: <&#192;&#203;&#160;Y&#202;           > C0 CB A0 59 CA 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001CA59A0CBC0, 40 bytes long.
 Data: <0g&#160;Y&#202;   p&#209;&#160;Y&#202;   > 30 67 A0 59 CA 01 00 00 70 D1 A0 59 CA 01 00 00 
{63} normal block at 0x000001CA59A06C30, 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 0x000001CA59A07310, 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 0x000001CA59A071D0, 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 0x000001CA59A07130, 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 0x000001CA59A06E10, 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 0x000001CA59A070E0, 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 0x000001CA59A06E60, 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 0x000001CA59A06A50, 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 0x000001CA59A06690, 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 0x000001CA59A06B40, 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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