Task 38700024

Name test_937-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND8160_1
Workunit 31638010
Created 6 Nov 2026, 14:34:35 UTC
Sent 6 Nov 2026, 14:34:38 UTC
Report deadline 11 Nov 2026, 14:34:38 UTC
Received 6 Nov 2026, 18:29:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 655011
Run time 1 hours 19 min 27 sec
CPU time 1 hours 12 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,990.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 667.40 MB
Peak swap size 2.31 GB
Peak disk usage 4.09 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:12:02 (13132): wrapper (7.9.26016): starting
18:12:02 (13132): 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
18:12:04 (13132): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:12:04 (13132): 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\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 'C:\ProgramData\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
19:28:23 (13132): C:/Windows/system32/cmd.exe exited; CPU time 4361.109375
19:28:23 (13132): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 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: 52317323 bytes.
Dumping objects ->
{3835177} normal block at 0x0000020B21B6AFE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835166} normal block at 0x0000020B21B6A9C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835155} normal block at 0x0000020B20001A60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835144} normal block at 0x0000020B20001910, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x0000020B200018A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835102} normal block at 0x0000020B21BB3420, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835089} normal block at 0x0000020B1FFF70F0, 8 bytes long.
 Data: <  &#253;     > 00 00 FD 1F 0B 02 00 00 
{3833945} normal block at 0x0000020B1FFF77D0, 8 bytes long.
 Data: <P$&#193;!    > 50 24 C1 21 0B 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000020B1FFFCCF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020B1FFEA920, 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 0x0000020B20003DB0, 16 bytes long.
 Data: <xC              > 78 43 00 20 0B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020B20003A90, 16 bytes long.
 Data: <PC              > 50 43 00 20 0B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020B1FFFD120, 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 0x0000020B20003F40, 16 bytes long.
 Data: <(C              > 28 43 00 20 0B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020B20003810, 16 bytes long.
 Data: < C              > 00 43 00 20 0B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020B20003D60, 16 bytes long.
 Data: <&#216;B              > D8 42 00 20 0B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020B20003180, 16 bytes long.
 Data: <&#176;B              > B0 42 00 20 0B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020B200016E0, 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 0x0000020B20003A40, 16 bytes long.
 Data: <&#200;&#200;&#254;             > C8 C8 FE 1F 0B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020B1FFFDEA0, 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 0x0000020B20003860, 16 bytes long.
 Data: <&#160;&#200;&#254;             > A0 C8 FE 1F 0B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020B20003C70, 16 bytes long.
 Data: <x&#200;&#254;             > 78 C8 FE 1F 0B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020B20003F90, 16 bytes long.
 Data: <P&#200;&#254;             > 50 C8 FE 1F 0B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020B20003950, 16 bytes long.
 Data: <(&#200;&#254;             > 28 C8 FE 1F 0B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020B20003590, 16 bytes long.
 Data: < &#200;&#254;             > 00 C8 FE 1F 0B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020B20003EF0, 16 bytes long.
 Data: <&#216;&#199;&#254;             > D8 C7 FE 1F 0B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020B1FFFD360, 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 0x0000020B200030E0, 16 bytes long.
 Data: <&#176;&#199;&#254;             > B0 C7 FE 1F 0B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020B1FFEC7B0, 320 bytes long.
 Data: <&#224;0      `&#211;      > E0 30 00 20 0B 02 00 00 60 D3 FF 1F 0B 02 00 00 
{268} normal block at 0x0000020B20003D10, 16 bytes long.
 Data: < B              > 90 42 00 20 0B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020B20003FE0, 16 bytes long.
 Data: <hB              > 68 42 00 20 0B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020B1FFFD180, 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 0x0000020B20003EA0, 16 bytes long.
 Data: <@B              > 40 42 00 20 0B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020B1FFFDC00, 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 0x0000020B20003130, 16 bytes long.
 Data: < A              > 88 41 00 20 0B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020B200039F0, 16 bytes long.
 Data: <`A              > 60 41 00 20 0B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020B200038B0, 16 bytes long.
 Data: <8A              > 38 41 00 20 0B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020B20003BD0, 16 bytes long.
 Data: < A              > 10 41 00 20 0B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020B200032C0, 16 bytes long.
 Data: <&#232;@              > E8 40 00 20 0B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020B20003E50, 16 bytes long.
 Data: <&#192;@              > C0 40 00 20 0B 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020B20003900, 16 bytes long.
 Data: <                > 20 15 00 20 0B 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020B20001520, 40 bytes long.
 Data: < 9       4&#187;!    > 00 39 00 20 0B 02 00 00 20 34 BB 21 0B 02 00 00 
{254} normal block at 0x0000020B20003220, 16 bytes long.
 Data: <&#160;@              > A0 40 00 20 0B 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000020B200039A0, 16 bytes long.
 Data: <x@              > 78 40 00 20 0B 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000020B1FFFD960, 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 0x0000020B200037C0, 16 bytes long.
 Data: <P@              > 50 40 00 20 0B 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000020B20004050, 992 bytes long.
 Data: <&#192;7      `&#217;      > C0 37 00 20 0B 02 00 00 60 D9 FF 1F 0B 02 00 00 
{86} normal block at 0x0000020B1FFFD780, 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 0x0000020B1FFF7B90, 16 bytes long.
 Data: <@               > 40 1B 00 20 0B 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000020B20001B40, 40 bytes long.
 Data: < {       &#215;      > 90 7B FF 1F 0B 02 00 00 80 D7 FF 1F 0B 02 00 00 
{63} normal block at 0x0000020B1FFF7370, 16 bytes long.
 Data: < &#234;&#214;.&#247;           > 80 EA D6 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020B1FFF7870, 16 bytes long.
 Data: <@&#233;&#214;.&#247;           > 40 E9 D6 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020B1FFF7820, 16 bytes long.
 Data: <&#248;W&#211;.&#247;           > F8 57 D3 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020B1FFF7550, 16 bytes long.
 Data: <&#216;W&#211;.&#247;           > D8 57 D3 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020B1FFF7E10, 16 bytes long.
 Data: <P &#211;.&#247;           > 50 04 D3 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020B1FFF7050, 16 bytes long.
 Data: <0 &#211;.&#247;           > 30 04 D3 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020B1FFF7780, 16 bytes long.
 Data: <&#224; &#211;.&#247;           > E0 02 D3 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000020B1FFF7730, 16 bytes long.
 Data: <  &#211;.&#247;           > 10 04 D3 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000020B1FFF7AA0, 16 bytes long.
 Data: <p &#211;.&#247;           > 70 04 D3 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000020B1FFF7410, 16 bytes long.
 Data: < &#192;&#209;.&#247;           > 18 C0 D1 2E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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