Task 38679347

Name test_287-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND9350_0
Workunit 31621123
Created 26 Oct 2026, 20:15:05 UTC
Sent 26 Oct 2026, 20:15:14 UTC
Report deadline 31 Oct 2026, 20:15:14 UTC
Received 26 Oct 2026, 22:57:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651945
Run time 40 min
CPU time 36 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,346.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 710.94 MB
Peak swap size 8.40 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:17:50 (7004): wrapper (7.9.26016): starting
18:17:50 (7004): 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
18:17:52 (7004): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:17:52 (7004): 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\16\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\16\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
18:55:58 (7004): C:/Windows/system32/cmd.exe exited; CPU time 2203.453125
18:55:58 (7004): 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: 40774517 bytes.
Dumping objects ->
{3835262} normal block at 0x00000280EAEDC730, 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 0x00000280EAEDCC00, 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 0x00000280EAEDD1B0, 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 0x00000280E91347B0, 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 0x00000280E91349E0, 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 0x00000280EAF29490, 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 0x00000280E912F190, 8 bytes long.
 Data: <  b&#233;    > 00 00 62 E9 80 02 00 00 
{3833959} normal block at 0x00000280E912EC90, 8 bytes long.
 Data: <P&#220;&#243;&#234;    > 50 DC F3 EA 80 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000280E9130DF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000280E9125DB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x00000280E9136010, 16 bytes long.
 Data: <&#184;U &#233;            > B8 55 13 E9 80 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000280E9135BB0, 16 bytes long.
 Data: < U &#233;            > 90 55 13 E9 80 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000280E912FEC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x00000280E91364C0, 16 bytes long.
 Data: <hU &#233;            > 68 55 13 E9 80 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000280E91359D0, 16 bytes long.
 Data: <@U &#233;            > 40 55 13 E9 80 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000280E9135ED0, 16 bytes long.
 Data: < U &#233;            > 18 55 13 E9 80 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000280E9135A70, 16 bytes long.
 Data: <&#240;T &#233;            > F0 54 13 E9 80 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000280E9134AC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x00000280E9135FC0, 16 bytes long.
 Data: <(  &#233;            > 28 90 12 E9 80 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000280E912F980, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x00000280E9136470, 16 bytes long.
 Data: <   &#233;            > 00 90 12 E9 80 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000280E9136420, 16 bytes long.
 Data: <&#216;  &#233;            > D8 8F 12 E9 80 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000280E91361F0, 16 bytes long.
 Data: <&#176;  &#233;            > B0 8F 12 E9 80 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000280E91361A0, 16 bytes long.
 Data: <   &#233;            > 88 8F 12 E9 80 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000280E9135F70, 16 bytes long.
 Data: <`  &#233;            > 60 8F 12 E9 80 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000280E91363D0, 16 bytes long.
 Data: <8  &#233;            > 38 8F 12 E9 80 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000280E912FB00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x00000280E9135F20, 16 bytes long.
 Data: <   &#233;            > 10 8F 12 E9 80 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000280E9128F10, 320 bytes long.
 Data: < _ &#233;     &#251; &#233;    > 20 5F 13 E9 80 02 00 00 00 FB 12 E9 80 02 00 00 
{275} normal block at 0x00000280E91357F0, 16 bytes long.
 Data: <&#208;T &#233;            > D0 54 13 E9 80 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000280E91360B0, 16 bytes long.
 Data: <&#168;T &#233;            > A8 54 13 E9 80 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000280E912F920, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x00000280E91358E0, 16 bytes long.
 Data: < T &#233;            > 80 54 13 E9 80 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000280E9130280, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x00000280E9135D90, 16 bytes long.
 Data: <&#200;S &#233;            > C8 53 13 E9 80 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000280E9135700, 16 bytes long.
 Data: <&#160;S &#233;            > A0 53 13 E9 80 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000280E9135A20, 16 bytes long.
 Data: <xS &#233;            > 78 53 13 E9 80 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000280E9135D40, 16 bytes long.
 Data: <PS &#233;            > 50 53 13 E9 80 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000280E9135B10, 16 bytes long.
 Data: <(S &#233;            > 28 53 13 E9 80 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000280E912EBA0, 16 bytes long.
 Data: < S &#233;            > 00 53 13 E9 80 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000280E912EB00, 16 bytes long.
 Data: <&#208;M &#233;            > D0 4D 13 E9 80 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000280E9134DD0, 40 bytes long.
 Data: < &#235; &#233;     &#148;&#242;&#234;    > 00 EB 12 E9 80 02 00 00 90 94 F2 EA 80 02 00 00 
{261} normal block at 0x00000280E912EA10, 16 bytes long.
 Data: <&#224;R &#233;            > E0 52 13 E9 80 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000280E912E9C0, 16 bytes long.
 Data: <&#184;R &#233;            > B8 52 13 E9 80 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000280E912FE60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x00000280E912F500, 16 bytes long.
 Data: < R &#233;            > 90 52 13 E9 80 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000280E9135290, 992 bytes long.
 Data: < &#245; &#233;    `&#254; &#233;    > 00 F5 12 E9 80 02 00 00 60 FE 12 E9 80 02 00 00 
{93} normal block at 0x00000280E91301C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x00000280E912EAB0, 16 bytes long.
 Data: <`M &#233;            > 60 4D 13 E9 80 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000280E9134D60, 40 bytes long.
 Data: <&#176;&#234; &#233;    &#192;  &#233;    > B0 EA 12 E9 80 02 00 00 C0 01 13 E9 80 02 00 00 
{70} normal block at 0x00000280E912E7E0, 16 bytes long.
 Data: < &#234; I&#246;           > 80 EA 7F 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000280E912F140, 16 bytes long.
 Data: <@&#233; I&#246;           > 40 E9 7F 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000280E912EE70, 16 bytes long.
 Data: <&#248;W|I&#246;           > F8 57 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000280E912F0F0, 16 bytes long.
 Data: <&#216;W|I&#246;           > D8 57 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000280E912F280, 16 bytes long.
 Data: <P |I&#246;           > 50 04 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000280E912E790, 16 bytes long.
 Data: <0 |I&#246;           > 30 04 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000280E912EC40, 16 bytes long.
 Data: <&#224; |I&#246;           > E0 02 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000280E912F6E0, 16 bytes long.
 Data: <  |I&#246;           > 10 04 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000280E912F690, 16 bytes long.
 Data: <p |I&#246;           > 70 04 7C 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000280E912F460, 16 bytes long.
 Data: < &#192;zI&#246;           > 18 C0 7A 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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