Task 38668108

Name test_628-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND5475_0
Workunit 31610670
Created 25 Oct 2026, 10:40:55 UTC
Sent 25 Oct 2026, 10:41:00 UTC
Report deadline 30 Oct 2026, 10:41:00 UTC
Received 25 Oct 2026, 11:34:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 650591
Run time 48 min 19 sec
CPU time 47 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,075.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 736.28 MB
Peak swap size 12.95 GB
Peak disk usage 3.91 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:46:35 (4960): wrapper (7.9.26016): starting
11:46:35 (4960): 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
11:46:36 (4960): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:46:36 (4960): 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 'G:\BOINC\DATA\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 'G:\BOINC\DATA\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
12:34:08 (4960): C:/Windows/system32/cmd.exe exited; CPU time 2834.968750
12:34:08 (4960): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 44019523 bytes.
Dumping objects ->
{3835187} normal block at 0x0000021291167D30, 48 bytes long.
 Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835176} normal block at 0x0000021292F336B0, 32 bytes long.
 Data: <HOME=G:\BOINC\DA> 48 4F 4D 45 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835165} normal block at 0x0000021292F32A50, 32 bytes long.
 Data: <TMP=G:\BOINC\DAT> 54 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 54 
{3835154} normal block at 0x0000021292F33C50, 32 bytes long.
 Data: <TEMP=G:\BOINC\DA> 54 45 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835143} normal block at 0x0000021292F32F90, 32 bytes long.
 Data: <TMPDIR=G:\BOINC\> 54 4D 50 44 49 52 3D 47 3A 5C 42 4F 49 4E 43 5C 
{3835112} normal block at 0x0000021291167CC0, 48 bytes long.
 Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
..\api\boinc_api.cpp(309) : {3835099} normal block at 0x000002129115F8A0, 8 bytes long.
 Data: <  a&#145;    > 00 00 61 91 12 02 00 00 
{3833951} normal block at 0x000002129115EFE0, 8 bytes long.
 Data: <&#160;` &#145;    > A0 60 16 91 12 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000212911638A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021291157E40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x0000021291166700, 16 bytes long.
 Data: <Hy &#145;            > 48 79 16 91 12 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021291166FC0, 16 bytes long.
 Data: < y &#145;            > 20 79 16 91 12 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000212911618D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x0000021291166CA0, 16 bytes long.
 Data: <&#248;x &#145;            > F8 78 16 91 12 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000212911674C0, 16 bytes long.
 Data: <&#208;x &#145;            > D0 78 16 91 12 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021291166C50, 16 bytes long.
 Data: <&#168;x &#145;            > A8 78 16 91 12 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021291167100, 16 bytes long.
 Data: < x &#145;            > 80 78 16 91 12 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021291167A90, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x0000021291166E30, 16 bytes long.
 Data: <&#168;  &#145;            > A8 05 15 91 12 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021291161990, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x00000212911670B0, 16 bytes long.
 Data: <   &#145;            > 80 05 15 91 12 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021291166A20, 16 bytes long.
 Data: <X  &#145;            > 58 05 15 91 12 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000212911671A0, 16 bytes long.
 Data: <0  &#145;            > 30 05 15 91 12 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021291166B60, 16 bytes long.
 Data: <   &#145;            > 08 05 15 91 12 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021291166BB0, 16 bytes long.
 Data: <&#224;  &#145;            > E0 04 15 91 12 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000212911668E0, 16 bytes long.
 Data: <&#184;  &#145;            > B8 04 15 91 12 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021291161870, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x0000021291166ED0, 16 bytes long.
 Data: <   &#145;            > 90 04 15 91 12 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021291150490, 320 bytes long.
 Data: <&#208;n &#145;    p  &#145;    > D0 6E 16 91 12 02 00 00 70 18 16 91 12 02 00 00 
{271} normal block at 0x0000021291167010, 16 bytes long.
 Data: <`x &#145;            > 60 78 16 91 12 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021291166750, 16 bytes long.
 Data: <8x &#145;            > 38 78 16 91 12 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021291161930, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x0000021291167470, 16 bytes long.
 Data: < x &#145;            > 10 78 16 91 12 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021291160B50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x0000021291166C00, 16 bytes long.
 Data: <Xw &#145;            > 58 77 16 91 12 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021291167420, 16 bytes long.
 Data: <0w &#145;            > 30 77 16 91 12 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000212911669D0, 16 bytes long.
 Data: < w &#145;            > 08 77 16 91 12 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021291167560, 16 bytes long.
 Data: <&#224;v &#145;            > E0 76 16 91 12 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021291166980, 16 bytes long.
 Data: <&#184;v &#145;            > B8 76 16 91 12 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021291166930, 16 bytes long.
 Data: < v &#145;            > 90 76 16 91 12 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021291166D90, 16 bytes long.
 Data: <@&#173; &#145;            > 40 AD 15 91 12 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002129115AD40, 40 bytes long.
 Data: < m &#145;    &#192;| &#145;    > 90 6D 16 91 12 02 00 00 C0 7C 16 91 12 02 00 00 
{257} normal block at 0x0000021291167240, 16 bytes long.
 Data: <pv &#145;            > 70 76 16 91 12 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000021291167150, 16 bytes long.
 Data: <Hv &#145;            > 48 76 16 91 12 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000021291161630, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x0000021291167380, 16 bytes long.
 Data: < v &#145;            > 20 76 16 91 12 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000021291167620, 992 bytes long.
 Data: < s &#145;    0  &#145;    > 80 73 16 91 12 02 00 00 30 16 16 91 12 02 00 00 
{89} normal block at 0x0000021291160D30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000002129115F7B0, 16 bytes long.
 Data: <&#208;&#197; &#145;            > D0 C5 14 91 12 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000002129114C5D0, 40 bytes long.
 Data: <&#176;&#247; &#145;    0  &#145;    > B0 F7 15 91 12 02 00 00 30 0D 16 91 12 02 00 00 
{66} normal block at 0x000002129115EF90, 16 bytes long.
 Data: < &#234; &#236;&#246;           > 80 EA 90 EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002129115F710, 16 bytes long.
 Data: <@&#233; &#236;&#246;           > 40 E9 90 EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002129115F530, 16 bytes long.
 Data: <&#248;W&#141;&#236;&#246;           > F8 57 8D EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002129115FBC0, 16 bytes long.
 Data: <&#216;W&#141;&#236;&#246;           > D8 57 8D EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002129115FB70, 16 bytes long.
 Data: <P &#141;&#236;&#246;           > 50 04 8D EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002129115F0D0, 16 bytes long.
 Data: <0 &#141;&#236;&#246;           > 30 04 8D EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002129115F620, 16 bytes long.
 Data: <&#224; &#141;&#236;&#246;           > E0 02 8D EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002129115F9E0, 16 bytes long.
 Data: <  &#141;&#236;&#246;           > 10 04 8D EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002129115FDA0, 16 bytes long.
 Data: <p &#141;&#236;&#246;           > 70 04 8D EC F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002129115F440, 16 bytes long.
 Data: < &#192;&#139;&#236;&#246;           > 18 C0 8B EC F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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