Task 38683129

Name test_504-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND7247_0
Workunit 31624708
Created 27 Oct 2026, 10:33:00 UTC
Sent 27 Oct 2026, 10:33:05 UTC
Report deadline 1 Nov 2026, 10:33:05 UTC
Received 27 Oct 2026, 11:15:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 580951
Run time 40 min 5 sec
CPU time 37 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 18,926.93 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 699.46 MB
Peak swap size 3.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.16.11</core_client_version>
<![CDATA[
<stderr_txt>
11:35:34 (14516): wrapper (7.9.26016): starting
11:35:34 (14516): 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
11:35:36 (14516): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:35:36 (14516): 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\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 'C:\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: Exiting with failure status due to previous errors
12:14:08 (14516): C:/Windows/system32/cmd.exe exited; CPU time 2257.843750
12:14:08 (14516): called boinc_finish(0)
0 bytes in 0 Free Blocks.
546 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: 35429141 bytes.
Dumping objects ->
{3835287} normal block at 0x0000021CA64B0AE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835276} normal block at 0x0000021CA64B1330, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835265} normal block at 0x0000021CA64B1410, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835254} normal block at 0x0000021CA64B0DF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835243} normal block at 0x0000021CA64B11E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835212} normal block at 0x0000021CA655C550, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x0000021CA6601B80, 145 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) : {3835198} normal block at 0x0000021CA4B37760, 8 bytes long.
 Data: <  &#175;&#164;    > 00 00 AF A4 1C 02 00 00 
{3834558} normal block at 0x0000021CA6602610, 145 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 0x0000021CA4B37B20, 8 bytes long.
 Data: <  S&#166;    > 10 01 53 A6 1C 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000021CA4B414B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021CA4B2AEE0, 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 0x0000021CA4B42B30, 16 bytes long.
 Data: <&#232;:&#180;&#164;            > E8 3A B4 A4 1C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021CA4B42AE0, 16 bytes long.
 Data: <&#192;:&#180;&#164;            > C0 3A B4 A4 1C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021CA4B3DF30, 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 0x0000021CA4B42A90, 16 bytes long.
 Data: < :&#180;&#164;            > 98 3A B4 A4 1C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021CA4B42F40, 16 bytes long.
 Data: <p:&#180;&#164;            > 70 3A B4 A4 1C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021CA4B42E00, 16 bytes long.
 Data: <H:&#180;&#164;            > 48 3A B4 A4 1C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021CA4B43030, 16 bytes long.
 Data: < :&#180;&#164;            > 20 3A B4 A4 1C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021CA4B3CB30, 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 0x0000021CA4B42FE0, 16 bytes long.
 Data: <h&#216;&#179;&#164;            > 68 D8 B3 A4 1C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021CA4B3E350, 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 0x0000021CA4B42810, 16 bytes long.
 Data: <@&#216;&#179;&#164;            > 40 D8 B3 A4 1C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021CA4B43350, 16 bytes long.
 Data: < &#216;&#179;&#164;            > 18 D8 B3 A4 1C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021CA4B428B0, 16 bytes long.
 Data: <&#240;&#215;&#179;&#164;            > F0 D7 B3 A4 1C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021CA4B43300, 16 bytes long.
 Data: <&#200;&#215;&#179;&#164;            > C8 D7 B3 A4 1C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021CA4B427C0, 16 bytes long.
 Data: <&#160;&#215;&#179;&#164;            > A0 D7 B3 A4 1C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021CA4B426D0, 16 bytes long.
 Data: <x&#215;&#179;&#164;            > 78 D7 B3 A4 1C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021CA4B3DB10, 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 0x0000021CA4B42770, 16 bytes long.
 Data: <P&#215;&#179;&#164;            > 50 D7 B3 A4 1C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021CA4B3D750, 320 bytes long.
 Data: <p'&#180;&#164;     &#219;&#179;&#164;    > 70 27 B4 A4 1C 02 00 00 10 DB B3 A4 1C 02 00 00 
{270} normal block at 0x0000021CA4B425E0, 16 bytes long.
 Data: < :&#180;&#164;            > 00 3A B4 A4 1C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021CA4B42400, 16 bytes long.
 Data: <&#216;9&#180;&#164;            > D8 39 B4 A4 1C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021CA4B3E4D0, 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 0x0000021CA4B42D10, 16 bytes long.
 Data: <&#176;9&#180;&#164;            > B0 39 B4 A4 1C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021CA4B3E3B0, 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 0x0000021CA4B42860, 16 bytes long.
 Data: <&#248;8&#180;&#164;            > F8 38 B4 A4 1C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021CA4B429F0, 16 bytes long.
 Data: <&#208;8&#180;&#164;            > D0 38 B4 A4 1C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021CA4B42BD0, 16 bytes long.
 Data: <&#168;8&#180;&#164;            > A8 38 B4 A4 1C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021CA4B42680, 16 bytes long.
 Data: < 8&#180;&#164;            > 80 38 B4 A4 1C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021CA4B42E50, 16 bytes long.
 Data: <X8&#180;&#164;            > 58 38 B4 A4 1C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021CA4B42720, 16 bytes long.
 Data: <08&#180;&#164;            > 30 38 B4 A4 1C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021CA4B429A0, 16 bytes long.
 Data: <P&#202;&#179;&#164;            > 50 CA B3 A4 1C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021CA4B3CA50, 40 bytes long.
 Data: <&#160;)&#180;&#164;    P&#197;U&#166;    > A0 29 B4 A4 1C 02 00 00 50 C5 55 A6 1C 02 00 00 
{256} normal block at 0x0000021CA4B42EF0, 16 bytes long.
 Data: < 8&#180;&#164;            > 10 38 B4 A4 1C 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000021CA4B42540, 16 bytes long.
 Data: <&#232;7&#180;&#164;            > E8 37 B4 A4 1C 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000021CA4B3E650, 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 0x0000021CA4B42A40, 16 bytes long.
 Data: <&#192;7&#180;&#164;            > C0 37 B4 A4 1C 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000021CA4B437C0, 992 bytes long.
 Data: <@*&#180;&#164;    P&#230;&#179;&#164;    > 40 2A B4 A4 1C 02 00 00 50 E6 B3 A4 1C 02 00 00 
{88} normal block at 0x0000021CA4B3DBD0, 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 0x0000021CA4B37940, 16 bytes long.
 Data: <&#240;&#197;&#179;&#164;            > F0 C5 B3 A4 1C 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000021CA4B3C5F0, 40 bytes long.
 Data: <@y&#179;&#164;    &#208;&#219;&#179;&#164;    > 40 79 B3 A4 1C 02 00 00 D0 DB B3 A4 1C 02 00 00 
{65} normal block at 0x0000021CA4B37FD0, 16 bytes long.
 Data: < &#234;&#139;u&#246;           > 80 EA 8B 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021CA4B381B0, 16 bytes long.
 Data: <@&#233;&#139;u&#246;           > 40 E9 8B 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021CA4B37EE0, 16 bytes long.
 Data: <&#248;W u&#246;           > F8 57 88 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021CA4B378A0, 16 bytes long.
 Data: <&#216;W u&#246;           > D8 57 88 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021CA4B37AD0, 16 bytes long.
 Data: <P  u&#246;           > 50 04 88 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021CA4B37A80, 16 bytes long.
 Data: <0  u&#246;           > 30 04 88 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021CA4B37DA0, 16 bytes long.
 Data: <&#224;  u&#246;           > E0 02 88 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000021CA4B37D50, 16 bytes long.
 Data: <   u&#246;           > 10 04 88 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000021CA4B37DF0, 16 bytes long.
 Data: <p  u&#246;           > 70 04 88 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000021CA4B37A30, 16 bytes long.
 Data: < &#192;&#134;u&#246;           > 18 C0 86 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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