Task 38697553

Name test_792-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND6448_0
Workunit 31638119
Created 1 Nov 2026, 16:56:14 UTC
Sent 1 Nov 2026, 16:56:19 UTC
Report deadline 6 Nov 2026, 16:56:19 UTC
Received 1 Nov 2026, 17:34:24 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 593616
Run time 36 min 51 sec
CPU time 32 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,502.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 723.40 MB
Peak swap size 6.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
01:58:45 (89116): wrapper (7.9.26016): starting
01:58:45 (89116): 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
01:58:47 (89116): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:58:47 (89116): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
'DOSKEY' &#130;&#205;&#129;A&#147;&#224;&#149;&#148;&#131;R&#131;}&#131;&#147;&#131;h&#130;&#220;&#130;&#189;&#130;&#205;&#138;O&#149;&#148;&#131;R&#131;}&#131;&#147;&#131;h&#129;A
&#145;&#128;&#141;&#236;&#137;&#194;&#148;\&#130;&#200;&#131;v&#131;&#141;&#131;O&#131;&#137;&#131;&#128;&#130;&#220;&#130;&#189;&#130;&#205;&#131;o&#131;b&#131;` &#131;t&#131;@&#131;C&#131;&#139;&#130;&#198;&#130;&#181;&#130;&#196;&#148;F&#142;&#175;&#130;&#179;&#130;&#234;&#130;&#196;&#130;&#162;&#130;&#220;&#130;&#185;&#130;&#241;&#129;B
  WARNING: The script pyaml.exe is installed in 'D:\ProgramData\BOINC\slots\15\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 'D:\ProgramData\BOINC\slots\15\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
02:33:53 (89116): C:/Windows/system32/cmd.exe exited; CPU time 1959.500000
02:33:53 (89116): 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: 39186847 bytes.
Dumping objects ->
{3835329} normal block at 0x000001598E7B1330, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835318} normal block at 0x000001598E7B1170, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835307} normal block at 0x000001598E7B0C30, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835296} normal block at 0x000001598E7B0A70, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835285} normal block at 0x000001598E7B15D0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835254} normal block at 0x000001598E8A8C00, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835241} normal block at 0x000001598C86E7B0, 8 bytes long.
 Data: <    Y   > 00 00 84 8C 59 01 00 00 
{3834077} normal block at 0x000001598C86DF90, 8 bytes long.
 Data: <&#176;H  Y   > B0 48 90 8E 59 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001598C8731A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001598C866AE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000001598C8768A0, 16 bytes long.
 Data: < t  Y           > 08 74 87 8C 59 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001598C877070, 16 bytes long.
 Data: < s  Y           > E0 73 87 8C 59 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001598C870100, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000001598C8764E0, 16 bytes long.
 Data: <&#184;s  Y           > B8 73 87 8C 59 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001598C876F30, 16 bytes long.
 Data: < s  Y           > 90 73 87 8C 59 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001598C876800, 16 bytes long.
 Data: <hs  Y           > 68 73 87 8C 59 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001598C8761C0, 16 bytes long.
 Data: <@s  Y           > 40 73 87 8C 59 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001598C871120, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000001598C876AD0, 16 bytes long.
 Data: <    Y           > E8 98 86 8C 59 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001598C86FE00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000001598C876260, 16 bytes long.
 Data: <&#192;   Y           > C0 98 86 8C 59 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001598C876530, 16 bytes long.
 Data: <    Y           > 98 98 86 8C 59 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001598C876E40, 16 bytes long.
 Data: <p   Y           > 70 98 86 8C 59 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001598C876A30, 16 bytes long.
 Data: <H   Y           > 48 98 86 8C 59 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001598C876990, 16 bytes long.
 Data: <    Y           > 20 98 86 8C 59 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001598C876940, 16 bytes long.
 Data: <    Y           > F8 97 86 8C 59 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001598C8700A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000001598C876710, 16 bytes long.
 Data: <&#208;   Y           > D0 97 86 8C 59 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001598C8697D0, 320 bytes long.
 Data: < g  Y       Y   > 10 67 87 8C 59 01 00 00 A0 00 87 8C 59 01 00 00 
{281} normal block at 0x000001598C8769E0, 16 bytes long.
 Data: < s  Y           > 20 73 87 8C 59 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001598C876A80, 16 bytes long.
 Data: < r  Y           > F8 72 87 8C 59 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001598C870940, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000001598C876350, 16 bytes long.
 Data: <&#208;r  Y           > D0 72 87 8C 59 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001598C870C40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000001598C8763A0, 16 bytes long.
 Data: < r  Y           > 18 72 87 8C 59 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001598C876170, 16 bytes long.
 Data: < q  Y           > F0 71 87 8C 59 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001598C877020, 16 bytes long.
 Data: <&#200;q  Y           > C8 71 87 8C 59 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001598C876DA0, 16 bytes long.
 Data: < q  Y           > A0 71 87 8C 59 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001598C876620, 16 bytes long.
 Data: <xq  Y           > 78 71 87 8C 59 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001598C876300, 16 bytes long.
 Data: <Pq  Y           > 50 71 87 8C 59 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001598C876C10, 16 bytes long.
 Data: <    Y           > 00 12 87 8C 59 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001598C871200, 40 bytes long.
 Data: < l  Y       Y   > 10 6C 87 8C 59 01 00 00 00 8C 8A 8E 59 01 00 00 
{267} normal block at 0x000001598C876440, 16 bytes long.
 Data: <0q  Y           > 30 71 87 8C 59 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001598C876DF0, 16 bytes long.
 Data: < q  Y           > 08 71 87 8C 59 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001598C8703A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000001598C876B70, 16 bytes long.
 Data: < p  Y           > E0 70 87 8C 59 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001598C8770E0, 992 bytes long.
 Data: <pk  Y       Y   > 70 6B 87 8C 59 01 00 00 A0 03 87 8C 59 01 00 00 
{99} normal block at 0x000001598C870A00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000001598C86E260, 16 bytes long.
 Data: <    Y           > A0 14 87 8C 59 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000001598C8714A0, 40 bytes long.
 Data: <`   Y       Y   > 60 E2 86 8C 59 01 00 00 00 0A 87 8C 59 01 00 00 
{74} normal block at 0x000001598C86DF40, 16 bytes long.
 Data: <                > 80 EA 86 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001598C86E350, 16 bytes long.
 Data: <@               > 40 E9 86 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001598C86E5D0, 16 bytes long.
 Data: < W              > F8 57 83 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001598C86E2B0, 16 bytes long.
 Data: <&#216;W              > D8 57 83 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001598C86E850, 16 bytes long.
 Data: <P               > 50 04 83 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001598C86E1C0, 16 bytes long.
 Data: <0               > 30 04 83 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001598C86E710, 16 bytes long.
 Data: <                > E0 02 83 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001598C86E8A0, 16 bytes long.
 Data: <                > 10 04 83 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001598C86DC20, 16 bytes long.
 Data: <p               > 70 04 83 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001598C86E170, 16 bytes long.
 Data: < &#192;              > 18 C0 81 02 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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