Task 38699395

Name test_998-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND7916_0
Workunit 31639800
Created 4 Nov 2026, 5:22:20 UTC
Sent 4 Nov 2026, 5:22:25 UTC
Report deadline 9 Nov 2026, 5:22:25 UTC
Received 4 Nov 2026, 6:59:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652029
Run time 1 hours 8 min
CPU time 1 hours 6 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.39 MB
Peak swap size 9.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:51:43 (4460): wrapper (7.9.26016): starting
22:51:43 (4460): 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
22:51:44 (4460): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:51:44 (4460): 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 'D:\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 'D:\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
23:59:14 (4460): C:/Windows/system32/cmd.exe exited; CPU time 3968.046875
23:59:14 (4460): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 bytes in 6 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: 63858337 bytes.
Dumping objects ->
{3835477} normal block at 0x000001D2604E9600, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835466} normal block at 0x000001D262253C60, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835455} normal block at 0x000001D2622535A0, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835444} normal block at 0x000001D262253360, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835433} normal block at 0x000001D262252D00, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835402} normal block at 0x000001D2604E93D0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835389} normal block at 0x000001D2604E2150, 8 bytes long.
 Data: <  I`&#210;   > 00 00 49 60 D2 01 00 00 
{3833955} normal block at 0x000001D2604E2A10, 8 bytes long.
 Data: <@<M`&#210;   > 40 3C 4D 60 D2 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001D2604DD560, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D2604D58F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001D2604EB900, 16 bytes long.
 Data: <(&#190;N`&#210;           > 28 BE 4E 60 D2 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D2604EAEB0, 16 bytes long.
 Data: < &#190;N`&#210;           > 00 BE 4E 60 D2 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D2604E5A20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001D2604EB5E0, 16 bytes long.
 Data: <&#216;&#189;N`&#210;           > D8 BD 4E 60 D2 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D2604EB590, 16 bytes long.
 Data: <&#176;&#189;N`&#210;           > B0 BD 4E 60 D2 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D2604EADC0, 16 bytes long.
 Data: < &#189;N`&#210;           > 88 BD 4E 60 D2 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D2604EB8B0, 16 bytes long.
 Data: <`&#189;N`&#210;           > 60 BD 4E 60 D2 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D2604E9750, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001D2604EB810, 16 bytes long.
 Data: < KN`&#210;           > 08 4B 4E 60 D2 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D2604E4DC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001D2604EB7C0, 16 bytes long.
 Data: <&#224;JN`&#210;           > E0 4A 4E 60 D2 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D2604EAD70, 16 bytes long.
 Data: <&#184;JN`&#210;           > B8 4A 4E 60 D2 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D2604EB1D0, 16 bytes long.
 Data: < JN`&#210;           > 90 4A 4E 60 D2 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D2604EB540, 16 bytes long.
 Data: <hJN`&#210;           > 68 4A 4E 60 D2 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D2604EAC30, 16 bytes long.
 Data: <@JN`&#210;           > 40 4A 4E 60 D2 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D2604EAB90, 16 bytes long.
 Data: < JN`&#210;           > 18 4A 4E 60 D2 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D2604E54E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000001D2604EB310, 16 bytes long.
 Data: <&#240;IN`&#210;           > F0 49 4E 60 D2 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D2604E49F0, 320 bytes long.
 Data: < &#179;N`&#210;   &#224;TN`&#210;   > 10 B3 4E 60 D2 01 00 00 E0 54 4E 60 D2 01 00 00 
{273} normal block at 0x000001D2604EB0E0, 16 bytes long.
 Data: <@&#189;N`&#210;           > 40 BD 4E 60 D2 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D2604EB720, 16 bytes long.
 Data: < &#189;N`&#210;           > 18 BD 4E 60 D2 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D2604E5120, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001D2604EB4F0, 16 bytes long.
 Data: <&#240;&#188;N`&#210;           > F0 BC 4E 60 D2 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D2604E57E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001D2604EAD20, 16 bytes long.
 Data: <8&#188;N`&#210;           > 38 BC 4E 60 D2 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D2604EB040, 16 bytes long.
 Data: < &#188;N`&#210;           > 10 BC 4E 60 D2 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D2604EB180, 16 bytes long.
 Data: <&#232;&#187;N`&#210;           > E8 BB 4E 60 D2 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D2604EB6D0, 16 bytes long.
 Data: <&#192;&#187;N`&#210;           > C0 BB 4E 60 D2 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D2604EB270, 16 bytes long.
 Data: < &#187;N`&#210;           > 98 BB 4E 60 D2 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D2604EB770, 16 bytes long.
 Data: <p&#187;N`&#210;           > 70 BB 4E 60 D2 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D2604EB680, 16 bytes long.
 Data: <&#176;&#148;N`&#210;           > B0 94 4E 60 D2 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D2604E94B0, 40 bytes long.
 Data: < &#182;N`&#210;   &#208;&#147;N`&#210;   > 80 B6 4E 60 D2 01 00 00 D0 93 4E 60 D2 01 00 00 
{259} normal block at 0x000001D2604EB4A0, 16 bytes long.
 Data: <P&#187;N`&#210;           > 50 BB 4E 60 D2 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001D2604EB400, 16 bytes long.
 Data: <(&#187;N`&#210;           > 28 BB 4E 60 D2 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001D2604E4EE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001D2604EB130, 16 bytes long.
 Data: < &#187;N`&#210;           > 00 BB 4E 60 D2 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001D2604EBB00, 992 bytes long.
 Data: <0&#177;N`&#210;   &#224;NN`&#210;   > 30 B1 4E 60 D2 01 00 00 E0 4E 4E 60 D2 01 00 00 
{91} normal block at 0x000001D2604E5060, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001D2604E1FC0, 16 bytes long.
 Data: <&#192;&#151;N`&#210;           > C0 97 4E 60 D2 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001D2604E97C0, 40 bytes long.
 Data: <&#192; N`&#210;   `PN`&#210;   > C0 1F 4E 60 D2 01 00 00 60 50 4E 60 D2 01 00 00 
{68} normal block at 0x000001D2604E20B0, 16 bytes long.
 Data: < &#234;eX&#247;           > 80 EA 65 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D2604E2830, 16 bytes long.
 Data: <@&#233;eX&#247;           > 40 E9 65 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D2604E1CA0, 16 bytes long.
 Data: <&#248;WbX&#247;           > F8 57 62 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D2604E2330, 16 bytes long.
 Data: <&#216;WbX&#247;           > D8 57 62 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D2604E24C0, 16 bytes long.
 Data: <P bX&#247;           > 50 04 62 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D2604E29C0, 16 bytes long.
 Data: <0 bX&#247;           > 30 04 62 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D2604E26F0, 16 bytes long.
 Data: <&#224; bX&#247;           > E0 02 62 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001D2604E1F20, 16 bytes long.
 Data: <  bX&#247;           > 10 04 62 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001D2604E2560, 16 bytes long.
 Data: <p bX&#247;           > 70 04 62 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001D2604E2920, 16 bytes long.
 Data: < &#192;`X&#247;           > 18 C0 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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