Task 38688077

Name test_733-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND6306_0
Workunit 31629446
Created 28 Oct 2026, 11:28:46 UTC
Sent 28 Oct 2026, 11:28:52 UTC
Report deadline 2 Nov 2026, 11:28:52 UTC
Received 28 Oct 2026, 12:39:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610900
Run time 58 min 20 sec
CPU time 51 min 42 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 738.48 MB
Peak swap size 9.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
07:41:04 (30008): wrapper (7.9.26016): starting
07:41:04 (30008): 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
07:41:05 (30008): Library/usr/bin/tar.exe exited; CPU time 0.031250
07:41:05 (30008): 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
08:38:36 (30008): C:/Windows/system32/cmd.exe exited; CPU time 3102.562500
08:38:36 (30008): 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: 82479665 bytes.
Dumping objects ->
{3835500} normal block at 0x000001A98FE966F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835489} normal block at 0x000001A98FE96680, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835478} normal block at 0x000001A98FE965A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835467} normal block at 0x000001A98FE96530, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x000001A98FE963E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835425} normal block at 0x000001A991B37AF0, 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) : {3835412} normal block at 0x000001A98FE8F0E0, 8 bytes long.
 Data: <  &#227; &#169;   > 00 00 E3 8F A9 01 00 00 
{3833959} normal block at 0x000001A98FE8EE60, 8 bytes long.
 Data: <p&#232;&#235; &#169;   > 70 E8 EB 8F A9 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001A98FE90570, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001A98FE7EB20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001A98FE979D0, 16 bytes long.
 Data: <h}&#233; &#169;           > 68 7D E9 8F A9 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001A98FE97930, 16 bytes long.
 Data: <@}&#233; &#169;           > 40 7D E9 8F A9 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001A98FE900A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001A98FE97570, 16 bytes long.
 Data: < }&#233; &#169;           > 18 7D E9 8F A9 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001A98FE97020, 16 bytes long.
 Data: <&#240;|&#233; &#169;           > F0 7C E9 8F A9 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A98FE97340, 16 bytes long.
 Data: <&#200;|&#233; &#169;           > C8 7C E9 8F A9 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A98FE976B0, 16 bytes long.
 Data: <&#160;|&#233; &#169;           > A0 7C E9 8F A9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001A98FE96840, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001A98FE97520, 16 bytes long.
 Data: <&#232;&#180;&#231; &#169;           > E8 B4 E7 8F A9 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A98FE8F7A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001A98FE97750, 16 bytes long.
 Data: <&#192;&#180;&#231; &#169;           > C0 B4 E7 8F A9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A98FE96E40, 16 bytes long.
 Data: < &#180;&#231; &#169;           > 98 B4 E7 8F A9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A98FE97980, 16 bytes long.
 Data: <p&#180;&#231; &#169;           > 70 B4 E7 8F A9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A98FE97250, 16 bytes long.
 Data: <H&#180;&#231; &#169;           > 48 B4 E7 8F A9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A98FE96DA0, 16 bytes long.
 Data: < &#180;&#231; &#169;           > 20 B4 E7 8F A9 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A98FE96B70, 16 bytes long.
 Data: <&#248;&#179;&#231; &#169;           > F8 B3 E7 8F A9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A98FE8F260, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001A98FE97890, 16 bytes long.
 Data: <&#208;&#179;&#231; &#169;           > D0 B3 E7 8F A9 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A98FE7B3D0, 320 bytes long.
 Data: < x&#233; &#169;   `&#242;&#232; &#169;   > 90 78 E9 8F A9 01 00 00 60 F2 E8 8F A9 01 00 00 
{275} normal block at 0x000001A98FE96A80, 16 bytes long.
 Data: < |&#233; &#169;           > 80 7C E9 8F A9 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A98FE97430, 16 bytes long.
 Data: <X|&#233; &#169;           > 58 7C E9 8F A9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A98FE8FF80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001A98FE97660, 16 bytes long.
 Data: <0|&#233; &#169;           > 30 7C E9 8F A9 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A98FE8F500, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001A98FE96C60, 16 bytes long.
 Data: <x{&#233; &#169;           > 78 7B E9 8F A9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A98FE96FD0, 16 bytes long.
 Data: <P{&#233; &#169;           > 50 7B E9 8F A9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A98FE978E0, 16 bytes long.
 Data: <({&#233; &#169;           > 28 7B E9 8F A9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A98FE974D0, 16 bytes long.
 Data: < {&#233; &#169;           > 00 7B E9 8F A9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A98FE96F80, 16 bytes long.
 Data: <&#216;z&#233; &#169;           > D8 7A E9 8F A9 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A98FE972A0, 16 bytes long.
 Data: <&#176;z&#233; &#169;           > B0 7A E9 8F A9 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A98FE97840, 16 bytes long.
 Data: < c&#233; &#169;           > 00 63 E9 8F A9 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A98FE96300, 40 bytes long.
 Data: <@x&#233; &#169;   &#240;z&#179;&#145;&#169;   > 40 78 E9 8F A9 01 00 00 F0 7A B3 91 A9 01 00 00 
{261} normal block at 0x000001A98FE96EE0, 16 bytes long.
 Data: < z&#233; &#169;           > 90 7A E9 8F A9 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001A98FE97480, 16 bytes long.
 Data: <hz&#233; &#169;           > 68 7A E9 8F A9 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001A98FE8FA40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001A98FE96C10, 16 bytes long.
 Data: <@z&#233; &#169;           > 40 7A E9 8F A9 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001A98FE97A40, 992 bytes long.
 Data: < l&#233; &#169;   @&#250;&#232; &#169;   > 10 6C E9 8F A9 01 00 00 40 FA E8 8F A9 01 00 00 
{93} normal block at 0x000001A98FE8FB60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001A98FE8EA50, 16 bytes long.
 Data: < &#211;&#231; &#169;           > 00 D3 E7 8F A9 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001A98FE7D300, 40 bytes long.
 Data: <P&#234;&#232; &#169;   `&#251;&#232; &#169;   > 50 EA E8 8F A9 01 00 00 60 FB E8 8F A9 01 00 00 
{70} normal block at 0x000001A98FE8F040, 16 bytes long.
 Data: < &#234; &#191;&#246;           > 80 EA 98 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001A98FE8E320, 16 bytes long.
 Data: <@&#233; &#191;&#246;           > 40 E9 98 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A98FE8EBE0, 16 bytes long.
 Data: <&#248;W&#149;&#191;&#246;           > F8 57 95 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A98FE8EF00, 16 bytes long.
 Data: <&#216;W&#149;&#191;&#246;           > D8 57 95 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A98FE8EA00, 16 bytes long.
 Data: <P &#149;&#191;&#246;           > 50 04 95 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A98FE8E7D0, 16 bytes long.
 Data: <0 &#149;&#191;&#246;           > 30 04 95 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001A98FE8E910, 16 bytes long.
 Data: <&#224; &#149;&#191;&#246;           > E0 02 95 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001A98FE8EC30, 16 bytes long.
 Data: <  &#149;&#191;&#246;           > 10 04 95 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001A98FE8EAF0, 16 bytes long.
 Data: <p &#149;&#191;&#246;           > 70 04 95 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001A98FE8EFF0, 16 bytes long.
 Data: < &#192;&#147;&#191;&#246;           > 18 C0 93 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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