Task 38696175

Name test_416-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND8019_0
Workunit 31636822
Created 31 Oct 2026, 20:08:00 UTC
Sent 31 Oct 2026, 20:08:06 UTC
Report deadline 5 Nov 2026, 20:08:06 UTC
Received 31 Oct 2026, 23:38:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 655054
Run time 46 min 15 sec
CPU time 43 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 17,037.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 761.18 MB
Peak swap size 12.94 GB
Peak disk usage 4.18 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
23:26:24 (15644): wrapper (7.9.26016): starting
23:26:24 (15644): 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
23:26:25 (15644): Library/usr/bin/tar.exe exited; CPU time 0.015625
23:26:25 (15644): 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:\boinc\slots\8\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:\boinc\slots\8\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
00:10:38 (15644): C:/Windows/system32/cmd.exe exited; CPU time 2636.109375
00:10:38 (15644): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 47240195 bytes.
Dumping objects ->
{3835301} normal block at 0x00000239247B3DF0, 48 bytes long.
 Data: <PATH=C:\boinc\sl> 50 41 54 48 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835290} normal block at 0x00000239266454B0, 32 bytes long.
 Data: <HOME=C:\boinc\sl> 48 4F 4D 45 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835279} normal block at 0x0000023926644310, 32 bytes long.
 Data: <TMP=C:\boinc\slo> 54 4D 50 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 6F 
{3835268} normal block at 0x00000239266456F0, 32 bytes long.
 Data: <TEMP=C:\boinc\sl> 54 45 4D 50 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835257} normal block at 0x0000023926644670, 32 bytes long.
 Data: <TMPDIR=C:\boinc\> 54 4D 50 44 49 52 3D 43 3A 5C 62 6F 69 6E 63 5C 
{3835226} normal block at 0x00000239247B3E60, 48 bytes long.
 Data: <PATH=C:\boinc\sl> 50 41 54 48 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835215} normal block at 0x000002392660D3E0, 102 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) : {3835212} normal block at 0x00000239247AEFD0, 8 bytes long.
 Data: <  &#204;$9   > 00 00 CC 24 39 02 00 00 
{3834573} normal block at 0x000002392660DAC0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833941} normal block at 0x00000239247AEE90, 8 bytes long.
 Data: <&#192;'h&9   > C0 27 68 26 39 02 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x00000239247A6570, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002392479EEA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x00000239247B5520, 16 bytes long.
 Data: <&#200;E{$9           > C8 45 7B 24 39 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000239247B4710, 16 bytes long.
 Data: <&#160;E{$9           > A0 45 7B 24 39 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000239247B00C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x00000239247B4E40, 16 bytes long.
 Data: <xE{$9           > 78 45 7B 24 39 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000239247B4FD0, 16 bytes long.
 Data: <PE{$9           > 50 45 7B 24 39 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000239247B4850, 16 bytes long.
 Data: <(E{$9           > 28 45 7B 24 39 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000239247B5250, 16 bytes long.
 Data: < E{$9           > 00 45 7B 24 39 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000239247B3BC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x00000239247B5200, 16 bytes long.
 Data: <8&#179;y$9           > 38 B3 79 24 39 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000239247AF7C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x00000239247B4B70, 16 bytes long.
 Data: < &#179;y$9           > 10 B3 79 24 39 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000239247B4A80, 16 bytes long.
 Data: <&#232;&#178;y$9           > E8 B2 79 24 39 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000239247B48F0, 16 bytes long.
 Data: <&#192;&#178;y$9           > C0 B2 79 24 39 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000239247B4E90, 16 bytes long.
 Data: < &#178;y$9           > 98 B2 79 24 39 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000239247B5660, 16 bytes long.
 Data: <p&#178;y$9           > 70 B2 79 24 39 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000239247B4A30, 16 bytes long.
 Data: <H&#178;y$9           > 48 B2 79 24 39 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000239247AF940, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{268} normal block at 0x00000239247B5570, 16 bytes long.
 Data: < &#178;y$9           > 20 B2 79 24 39 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002392479B220, 320 bytes long.
 Data: <pU{$9   @&#249;z$9   > 70 55 7B 24 39 02 00 00 40 F9 7A 24 39 02 00 00 
{266} normal block at 0x00000239247B5020, 16 bytes long.
 Data: <&#224;D{$9           > E0 44 7B 24 39 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000239247B48A0, 16 bytes long.
 Data: <&#184;D{$9           > B8 44 7B 24 39 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000239247AFC40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x00000239247B4D00, 16 bytes long.
 Data: < D{$9           > 90 44 7B 24 39 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000239247B02A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x00000239247B4EE0, 16 bytes long.
 Data: <&#216;C{$9           > D8 43 7B 24 39 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000239247B49E0, 16 bytes long.
 Data: <&#176;C{$9           > B0 43 7B 24 39 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000239247B5430, 16 bytes long.
 Data: < C{$9           > 88 43 7B 24 39 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000239247B4800, 16 bytes long.
 Data: <`C{$9           > 60 43 7B 24 39 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000239247AEF30, 16 bytes long.
 Data: <8C{$9           > 38 43 7B 24 39 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000239247AEEE0, 16 bytes long.
 Data: < C{$9           > 10 43 7B 24 39 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000239247AEB20, 16 bytes long.
 Data: <0<{$9           > 30 3C 7B 24 39 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000239247B3C30, 40 bytes long.
 Data: < &#235;z$9   `>{$9   > 20 EB 7A 24 39 02 00 00 60 3E 7B 24 39 02 00 00 
{252} normal block at 0x00000239247AE800, 16 bytes long.
 Data: <&#240;B{$9           > F0 42 7B 24 39 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000239247AEDA0, 16 bytes long.
 Data: <&#200;B{$9           > C8 42 7B 24 39 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x00000239247AF6A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x00000239247AE6C0, 16 bytes long.
 Data: <&#160;B{$9           > A0 42 7B 24 39 02 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x00000239247B42A0, 992 bytes long.
 Data: <&#192;&#230;z$9   &#160;&#246;z$9   > C0 E6 7A 24 39 02 00 00 A0 F6 7A 24 39 02 00 00 
{84} normal block at 0x00000239247B0060, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x00000239247AF0C0, 16 bytes long.
 Data: < &#197;y$9           > 10 C5 79 24 39 02 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000002392479C510, 40 bytes long.
 Data: <&#192;&#240;z$9   ` {$9   > C0 F0 7A 24 39 02 00 00 60 00 7B 24 39 02 00 00 
{61} normal block at 0x00000239247AED50, 16 bytes long.
 Data: < &#234;&#215;&#194;&#247;           > 80 EA D7 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000239247AE440, 16 bytes long.
 Data: <@&#233;&#215;&#194;&#247;           > 40 E9 D7 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000239247AEC10, 16 bytes long.
 Data: <&#248;W&#212;&#194;&#247;           > F8 57 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000239247AEDF0, 16 bytes long.
 Data: <&#216;W&#212;&#194;&#247;           > D8 57 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000239247AED00, 16 bytes long.
 Data: <P &#212;&#194;&#247;           > 50 04 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000239247AEBC0, 16 bytes long.
 Data: <0 &#212;&#194;&#247;           > 30 04 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000239247AEB70, 16 bytes long.
 Data: <&#224; &#212;&#194;&#247;           > E0 02 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000239247AE5D0, 16 bytes long.
 Data: <  &#212;&#194;&#247;           > 10 04 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x00000239247AE8F0, 16 bytes long.
 Data: <p &#212;&#194;&#247;           > 70 04 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x00000239247AECB0, 16 bytes long.
 Data: < &#192;&#210;&#194;&#247;           > 18 C0 D2 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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