Task 38681477

Name test_478-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND5382_0
Workunit 31623141
Created 27 Oct 2026, 4:09:11 UTC
Sent 27 Oct 2026, 4:09:17 UTC
Report deadline 1 Nov 2026, 4:09:17 UTC
Received 27 Oct 2026, 4:35:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 619058
Run time 22 min 45 sec
CPU time 21 min 16 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 740.52 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:12:54 (53908): wrapper (7.9.26016): starting
22:12:54 (53908): 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
22:12:55 (53908): Library/usr/bin/tar.exe exited; CPU time 0.031250
22:12:55 (53908): 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\9\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\9\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
22:34:37 (53908): C:/Windows/system32/cmd.exe exited; CPU time 1276.625000
22:34:37 (53908): 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: 33153419 bytes.
Dumping objects ->
{3835217} normal block at 0x0000026122395AC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x0000026122395970, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x0000026122395890, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835184} normal block at 0x0000026122395820, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835173} normal block at 0x0000026122395740, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835142} normal block at 0x00000261240A4A80, 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) : {3835129} normal block at 0x000002612238E2F0, 8 bytes long.
 Data: <  y"a   > 00 00 79 22 61 02 00 00 
{3833963} normal block at 0x000002612238E430, 8 bytes long.
 Data: < A $a   > 00 41 10 24 61 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000026122391020, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000026122386660, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000026122396950, 16 bytes long.
 Data: <ht9"a           > 68 74 39 22 61 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000026122396C20, 16 bytes long.
 Data: <@t9"a           > 40 74 39 22 61 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000026122390730, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000026122396DB0, 16 bytes long.
 Data: < t9"a           > 18 74 39 22 61 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000261223968B0, 16 bytes long.
 Data: <&#240;s9"a           > F0 73 39 22 61 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000026122396810, 16 bytes long.
 Data: <&#200;s9"a           > C8 73 39 22 61 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026122396720, 16 bytes long.
 Data: <&#160;s9"a           > A0 73 39 22 61 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000261223959E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000261223963B0, 16 bytes long.
 Data: <&#216; 8"a           > D8 98 38 22 61 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000261223901F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000261223970D0, 16 bytes long.
 Data: <&#176; 8"a           > B0 98 38 22 61 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000261223966D0, 16 bytes long.
 Data: <  8"a           > 88 98 38 22 61 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026122396680, 16 bytes long.
 Data: <` 8"a           > 60 98 38 22 61 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000026122396860, 16 bytes long.
 Data: <8 8"a           > 38 98 38 22 61 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000261223967C0, 16 bytes long.
 Data: <  8"a           > 10 98 38 22 61 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026122396310, 16 bytes long.
 Data: <&#232;&#151;8"a           > E8 97 38 22 61 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026122390CD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000261223965E0, 16 bytes long.
 Data: <&#192;&#151;8"a           > C0 97 38 22 61 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000261223897C0, 320 bytes long.
 Data: <&#224;e9"a   &#208; 9"a   > E0 65 39 22 61 02 00 00 D0 0C 39 22 61 02 00 00 
{277} normal block at 0x0000026122397080, 16 bytes long.
 Data: < s9"a           > 80 73 39 22 61 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026122396FE0, 16 bytes long.
 Data: <Xs9"a           > 58 73 39 22 61 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026122390310, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000026122396180, 16 bytes long.
 Data: <0s9"a           > 30 73 39 22 61 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026122390970, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000261223964F0, 16 bytes long.
 Data: <xr9"a           > 78 72 39 22 61 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026122396900, 16 bytes long.
 Data: <Pr9"a           > 50 72 39 22 61 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026122397030, 16 bytes long.
 Data: <(r9"a           > 28 72 39 22 61 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026122396450, 16 bytes long.
 Data: < r9"a           > 00 72 39 22 61 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026122396E50, 16 bytes long.
 Data: <&#216;q9"a           > D8 71 39 22 61 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026122396770, 16 bytes long.
 Data: <&#176;q9"a           > B0 71 39 22 61 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026122396360, 16 bytes long.
 Data: <0T9"a           > 30 54 39 22 61 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026122395430, 40 bytes long.
 Data: <`c9"a    J $a   > 60 63 39 22 61 02 00 00 80 4A 0A 24 61 02 00 00 
{263} normal block at 0x0000026122396590, 16 bytes long.
 Data: < q9"a           > 90 71 39 22 61 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000261223969F0, 16 bytes long.
 Data: <hq9"a           > 68 71 39 22 61 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000026122390850, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000026122396BD0, 16 bytes long.
 Data: <@q9"a           > 40 71 39 22 61 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000026122397140, 992 bytes long.
 Data: <&#208;k9"a   P 9"a   > D0 6B 39 22 61 02 00 00 50 08 39 22 61 02 00 00 
{95} normal block at 0x0000026122390A30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000002612238E1B0, 16 bytes long.
 Data: <0&#250;8"a           > 30 FA 38 22 61 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002612238FA30, 40 bytes long.
 Data: <&#176;&#225;8"a   0 9"a   > B0 E1 38 22 61 02 00 00 30 0A 39 22 61 02 00 00 
{72} normal block at 0x000002612238DDA0, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 98 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002612238DE90, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 98 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002612238DE40, 16 bytes long.
 Data: <&#248;W&#149; &#247;           > F8 57 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002612238E6B0, 16 bytes long.
 Data: <&#216;W&#149; &#247;           > D8 57 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002612238DC10, 16 bytes long.
 Data: <P &#149; &#247;           > 50 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002612238DB70, 16 bytes long.
 Data: <0 &#149; &#247;           > 30 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002612238E7F0, 16 bytes long.
 Data: <&#224; &#149; &#247;           > E0 02 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002612238E160, 16 bytes long.
 Data: <  &#149; &#247;           > 10 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002612238DD50, 16 bytes long.
 Data: <p &#149; &#247;           > 70 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002612238DDF0, 16 bytes long.
 Data: < &#192;&#147; &#247;           > 18 C0 93 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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