Task 38683335

Name test_849-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND0613_0
Workunit 31624902
Created 27 Oct 2026, 11:25:22 UTC
Sent 27 Oct 2026, 11:25:28 UTC
Report deadline 1 Nov 2026, 11:25:28 UTC
Received 27 Oct 2026, 12:38:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 514949
Run time 44 min 13 sec
CPU time 40 min 24 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 669.20 MB
Peak swap size 5.28 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
06:54:09 (5112): wrapper (7.9.26016): starting
06:54:09 (5112): 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
06:54:10 (5112): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:54:10 (5112): 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:\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 'D:\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
07:37:39 (5112): C:/Windows/system32/cmd.exe exited; CPU time 2424.562500
07:37:39 (5112): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 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: 41572037 bytes.
Dumping objects ->
{3835319} normal block at 0x0000020BA4B25AC0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835308} normal block at 0x0000020BA4B25EB0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835297} normal block at 0x0000020BA4B25BA0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835286} normal block at 0x0000020BA2EFDC00, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x0000020BA2EFD960, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835244} normal block at 0x0000020BA4A3BB80, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x0000020BA2F26F00, 135 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) : {3835230} normal block at 0x0000020BA2EF6B90, 8 bytes long.
 Data: <  &#151;&#164;    > 00 00 97 A4 0B 02 00 00 
{3834589} normal block at 0x0000020BA2F262D0, 135 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x0000020BA2EF78B0, 8 bytes long.
 Data: <&#240;&#137;&#173;&#164;    > F0 89 AD A4 0B 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000020BA2F008B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020BA2EEB660, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000020BA2F027A0, 16 bytes long.
 Data: <8@&#240;&#162;            > 38 40 F0 A2 0B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020BA2F02750, 16 bytes long.
 Data: < @&#240;&#162;            > 10 40 F0 A2 0B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020BA2EFC660, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x0000020BA2F01D00, 16 bytes long.
 Data: <&#232;?&#240;&#162;            > E8 3F F0 A2 0B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020BA2F01CB0, 16 bytes long.
 Data: <&#192;?&#240;&#162;            > C0 3F F0 A2 0B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020BA2F027F0, 16 bytes long.
 Data: < ?&#240;&#162;            > 98 3F F0 A2 0B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020BA2F02700, 16 bytes long.
 Data: <p?&#240;&#162;            > 70 3F F0 A2 0B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020BA2EFD880, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000020BA2F022F0, 16 bytes long.
 Data: <X&#210;&#239;&#162;            > 58 D2 EF A2 0B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020BA2EFBE20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000020BA2F022A0, 16 bytes long.
 Data: <0&#210;&#239;&#162;            > 30 D2 EF A2 0B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020BA2F01C60, 16 bytes long.
 Data: < &#210;&#239;&#162;            > 08 D2 EF A2 0B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020BA2F02250, 16 bytes long.
 Data: <&#224;&#209;&#239;&#162;            > E0 D1 EF A2 0B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020BA2F02660, 16 bytes long.
 Data: <&#184;&#209;&#239;&#162;            > B8 D1 EF A2 0B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020BA2F02480, 16 bytes long.
 Data: < &#209;&#239;&#162;            > 90 D1 EF A2 0B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020BA2F02610, 16 bytes long.
 Data: <h&#209;&#239;&#162;            > 68 D1 EF A2 0B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020BA2EFC2A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x0000020BA2F02200, 16 bytes long.
 Data: <@&#209;&#239;&#162;            > 40 D1 EF A2 0B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020BA2EFD140, 320 bytes long.
 Data: < "&#240;&#162;    &#160;&#194;&#239;&#162;    > 00 22 F0 A2 0B 02 00 00 A0 C2 EF A2 0B 02 00 00 
{270} normal block at 0x0000020BA2F01C10, 16 bytes long.
 Data: <P?&#240;&#162;            > 50 3F F0 A2 0B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020BA2F01B70, 16 bytes long.
 Data: <(?&#240;&#162;            > 28 3F F0 A2 0B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020BA2EFBCA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x0000020BA2F01B20, 16 bytes long.
 Data: < ?&#240;&#162;            > 00 3F F0 A2 0B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020BA2EFBD00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x0000020BA2F01AD0, 16 bytes long.
 Data: <H>&#240;&#162;            > 48 3E F0 A2 0B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020BA2F01BC0, 16 bytes long.
 Data: < >&#240;&#162;            > 20 3E F0 A2 0B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020BA2F019E0, 16 bytes long.
 Data: <&#248;=&#240;&#162;            > F8 3D F0 A2 0B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020BA2F01DF0, 16 bytes long.
 Data: <&#208;=&#240;&#162;            > D0 3D F0 A2 0B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020BA2F025C0, 16 bytes long.
 Data: <&#168;=&#240;&#162;            > A8 3D F0 A2 0B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020BA2F021B0, 16 bytes long.
 Data: < =&#240;&#162;            > 80 3D F0 A2 0B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020BA2F02070, 16 bytes long.
 Data: <&#192;&#214;&#239;&#162;            > C0 D6 EF A2 0B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020BA2EFD6C0, 40 bytes long.
 Data: <p &#240;&#162;     &#187;&#163;&#164;    > 70 20 F0 A2 0B 02 00 00 80 BB A3 A4 0B 02 00 00 
{256} normal block at 0x0000020BA2F02570, 16 bytes long.
 Data: <`=&#240;&#162;            > 60 3D F0 A2 0B 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020BA2F01A30, 16 bytes long.
 Data: <8=&#240;&#162;            > 38 3D F0 A2 0B 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000020BA2EFC360, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000020BA2F02890, 16 bytes long.
 Data: < =&#240;&#162;            > 10 3D F0 A2 0B 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000020BA2F03D10, 992 bytes long.
 Data: < (&#240;&#162;    `&#195;&#239;&#162;    > 90 28 F0 A2 0B 02 00 00 60 C3 EF A2 0B 02 00 00 
{88} normal block at 0x0000020BA2EFC240, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x0000020BA2EF7310, 16 bytes long.
 Data: <&#192;&#221;&#239;&#162;            > C0 DD EF A2 0B 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000020BA2EFDDC0, 40 bytes long.
 Data: < s&#239;&#162;    @&#194;&#239;&#162;    > 10 73 EF A2 0B 02 00 00 40 C2 EF A2 0B 02 00 00 
{65} normal block at 0x0000020BA2EF6CD0, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 1C 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020BA2EF7270, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 1C 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020BA2EF7220, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020BA2EF7450, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020BA2EF71D0, 16 bytes long.
 Data: <P   &#247;           > 50 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020BA2EF6960, 16 bytes long.
 Data: <0   &#247;           > 30 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020BA2EF7180, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020BA2EF77C0, 16 bytes long.
 Data: <    &#247;           > 10 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020BA2EF7130, 16 bytes long.
 Data: <p   &#247;           > 70 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000020BA2EF74F0, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 17 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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