Task 38678951

Name test_585-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND8742_0
Workunit 31620751
Created 26 Oct 2026, 18:57:27 UTC
Sent 26 Oct 2026, 18:57:31 UTC
Report deadline 31 Oct 2026, 18:57:31 UTC
Received 26 Oct 2026, 19:28:56 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 606178
Run time 30 min 18 sec
CPU time 29 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,200.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.59 MB
Peak swap size 6.89 GB
Peak disk usage 4.21 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
19:58:46 (22368): wrapper (7.9.26016): starting
19:58:46 (22368): 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
19:58:47 (22368): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:58:47 (22368): 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\3\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\3\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
20:28:01 (22368): C:/Windows/system32/cmd.exe exited; CPU time 1743.203125
20:28:01 (22368): 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: 36432027 bytes.
Dumping objects ->
{3835262} normal block at 0x0000018BF115D040, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835251} normal block at 0x0000018BF115CB00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x0000018BF115CFD0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835229} normal block at 0x0000018BF115CA20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x0000018BF115C550, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835187} normal block at 0x0000018BF2DFA2E0, 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) : {3835174} normal block at 0x0000018BF1130140, 8 bytes long.
 Data: <  &#179;&#242;&#139;   > 00 00 B3 F2 8B 01 00 00 
{3833967} normal block at 0x0000018BF112F380, 8 bytes long.
 Data: <@&#233; &#241;&#139;   > 40 E9 11 F1 8B 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000018BF1133290, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000018BF11286C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x0000018BF11391C0, 16 bytes long.
 Data: < &#163; &#241;&#139;           > 18 A3 13 F1 8B 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000018BF11394E0, 16 bytes long.
 Data: <&#240;&#162; &#241;&#139;           > F0 A2 13 F1 8B 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000018BF1131A00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000018BF1139030, 16 bytes long.
 Data: <&#200;&#162; &#241;&#139;           > C8 A2 13 F1 8B 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000018BF1139800, 16 bytes long.
 Data: <&#160;&#162; &#241;&#139;           > A0 A2 13 F1 8B 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000018BF11397B0, 16 bytes long.
 Data: <x&#162; &#241;&#139;           > 78 A2 13 F1 8B 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018BF1139710, 16 bytes long.
 Data: <P&#162; &#241;&#139;           > 50 A2 13 F1 8B 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000018BF11378C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x0000018BF1139CB0, 16 bytes long.
 Data: < &#248; &#241;&#139;           > 08 F8 11 F1 8B 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000018BF11319A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000018BF1139440, 16 bytes long.
 Data: <&#224;&#247; &#241;&#139;           > E0 F7 11 F1 8B 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018BF1139490, 16 bytes long.
 Data: <&#184;&#247; &#241;&#139;           > B8 F7 11 F1 8B 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000018BF1139F80, 16 bytes long.
 Data: < &#247; &#241;&#139;           > 90 F7 11 F1 8B 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018BF11393F0, 16 bytes long.
 Data: <h&#247; &#241;&#139;           > 68 F7 11 F1 8B 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018BF11393A0, 16 bytes long.
 Data: <@&#247; &#241;&#139;           > 40 F7 11 F1 8B 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018BF1139350, 16 bytes long.
 Data: < &#247; &#241;&#139;           > 18 F7 11 F1 8B 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018BF1131D00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x0000018BF1139530, 16 bytes long.
 Data: <&#240;&#246; &#241;&#139;           > F0 F6 11 F1 8B 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018BF111F6F0, 320 bytes long.
 Data: <0&#149; &#241;&#139;      &#241;&#139;   > 30 95 13 F1 8B 01 00 00 00 1D 13 F1 8B 01 00 00 
{279} normal block at 0x0000018BF1139300, 16 bytes long.
 Data: <0&#162; &#241;&#139;           > 30 A2 13 F1 8B 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018BF11392B0, 16 bytes long.
 Data: < &#162; &#241;&#139;           > 08 A2 13 F1 8B 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018BF1131DC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x0000018BF1139DA0, 16 bytes long.
 Data: <&#224;&#161; &#241;&#139;           > E0 A1 13 F1 8B 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018BF1131940, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x0000018BF1139E40, 16 bytes long.
 Data: <(&#161; &#241;&#139;           > 28 A1 13 F1 8B 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000018BF1139B20, 16 bytes long.
 Data: < &#161; &#241;&#139;           > 00 A1 13 F1 8B 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018BF1139C60, 16 bytes long.
 Data: <&#216;&#160; &#241;&#139;           > D8 A0 13 F1 8B 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018BF1139EE0, 16 bytes long.
 Data: <&#176;&#160; &#241;&#139;           > B0 A0 13 F1 8B 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018BF1139120, 16 bytes long.
 Data: < &#160; &#241;&#139;           > 88 A0 13 F1 8B 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000018BF11398F0, 16 bytes long.
 Data: <`&#160; &#241;&#139;           > 60 A0 13 F1 8B 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018BF1139D50, 16 bytes long.
 Data: <p~ &#241;&#139;           > 70 7E 13 F1 8B 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018BF1137E70, 40 bytes long.
 Data: <P  &#241;&#139;   &#224;&#162;&#223;&#242;&#139;   > 50 9D 13 F1 8B 01 00 00 E0 A2 DF F2 8B 01 00 00 
{265} normal block at 0x0000018BF11390D0, 16 bytes long.
 Data: <@&#160; &#241;&#139;           > 40 A0 13 F1 8B 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018BF1139A80, 16 bytes long.
 Data: < &#160; &#241;&#139;           > 18 A0 13 F1 8B 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000018BF1131F40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x0000018BF1139F30, 16 bytes long.
 Data: <&#240;&#159; &#241;&#139;           > F0 9F 13 F1 8B 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018BF1139FF0, 992 bytes long.
 Data: <0&#159; &#241;&#139;   @  &#241;&#139;   > 30 9F 13 F1 8B 01 00 00 40 1F 13 F1 8B 01 00 00 
{97} normal block at 0x0000018BF1132600, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x0000018BF112F7E0, 16 bytes long.
 Data: < z &#241;&#139;           > 10 7A 13 F1 8B 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000018BF1137A10, 40 bytes long.
 Data: <&#224;&#247; &#241;&#139;    & &#241;&#139;   > E0 F7 12 F1 8B 01 00 00 00 26 13 F1 8B 01 00 00 
{74} normal block at 0x0000018BF112FDD0, 16 bytes long.
 Data: < &#234;&#254;&#199;&#247;           > 80 EA FE C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000018BF112FFB0, 16 bytes long.
 Data: <@&#233;&#254;&#199;&#247;           > 40 E9 FE C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000018BF112F790, 16 bytes long.
 Data: <&#248;W&#251;&#199;&#247;           > F8 57 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000018BF112FAB0, 16 bytes long.
 Data: <&#216;W&#251;&#199;&#247;           > D8 57 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000018BF112FEC0, 16 bytes long.
 Data: <P &#251;&#199;&#247;           > 50 04 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000018BF112FE70, 16 bytes long.
 Data: <0 &#251;&#199;&#247;           > 30 04 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000018BF112FC90, 16 bytes long.
 Data: <&#224; &#251;&#199;&#247;           > E0 02 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000018BF1130050, 16 bytes long.
 Data: <  &#251;&#199;&#247;           > 10 04 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000018BF112FA60, 16 bytes long.
 Data: <p &#251;&#199;&#247;           > 70 04 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000018BF112F290, 16 bytes long.
 Data: < &#192;&#249;&#199;&#247;           > 18 C0 F9 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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