Task 38675969

Name test_593-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND4883_0
Workunit 31617909
Created 26 Oct 2026, 9:52:10 UTC
Sent 26 Oct 2026, 9:52:21 UTC
Report deadline 31 Oct 2026, 9:52:21 UTC
Received 26 Oct 2026, 11:56:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653700
Run time 44 min 44 sec
CPU time 40 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,956.20 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 706.79 MB
Peak swap size 5.35 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
12:12:16 (30672): wrapper (7.9.26016): starting
12:12:16 (30672): 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
12:12:17 (30672): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:12:17 (30672): 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\5\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\5\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
12:55:37 (30672): C:/Windows/system32/cmd.exe exited; CPU time 2436.484375
12:55:37 (30672): 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: 51902815 bytes.
Dumping objects ->
{3835277} normal block at 0x00000280964DC890, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835266} normal block at 0x00000280964DC350, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835255} normal block at 0x00000280964DCF90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835244} normal block at 0x00000280964DD070, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x00000280964B6BD0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835202} normal block at 0x000002809807FC70, 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) : {3835189} normal block at 0x00000280964AD6E0, 8 bytes long.
 Data: <  &#236;&#151;    > 00 00 EC 97 80 02 00 00 
{3833985} normal block at 0x00000280964AD370, 8 bytes long.
 Data: <&#192;&#235;I&#150;    > C0 EB 49 96 80 02 00 00 
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x00000280964A1200, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x00000280964A88D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{308} normal block at 0x00000280964B7F30, 16 bytes long.
 Data: <&#216;&#134;K&#150;            > D8 86 4B 96 80 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x00000280964B81B0, 16 bytes long.
 Data: <&#176;&#134;K&#150;            > B0 86 4B 96 80 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x00000280964B1430, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{305} normal block at 0x00000280964B7EE0, 16 bytes long.
 Data: < &#134;K&#150;            > 88 86 4B 96 80 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000280964B7D00, 16 bytes long.
 Data: <`&#134;K&#150;            > 60 86 4B 96 80 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000280964B8110, 16 bytes long.
 Data: <8&#134;K&#150;            > 38 86 4B 96 80 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000280964B7DF0, 16 bytes long.
 Data: < &#134;K&#150;            > 10 86 4B 96 80 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000280964B6690, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{300} normal block at 0x00000280964B8160, 16 bytes long.
 Data: <  J&#150;            > 08 16 4A 96 80 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000280964B0950, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{298} normal block at 0x00000280964B7CB0, 16 bytes long.
 Data: <&#224; J&#150;            > E0 15 4A 96 80 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000280964B7C10, 16 bytes long.
 Data: <&#184; J&#150;            > B8 15 4A 96 80 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000280964B7FD0, 16 bytes long.
 Data: <  J&#150;            > 90 15 4A 96 80 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000280964B7B70, 16 bytes long.
 Data: <h J&#150;            > 68 15 4A 96 80 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000280964B7B20, 16 bytes long.
 Data: <@ J&#150;            > 40 15 4A 96 80 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000280964B7AD0, 16 bytes long.
 Data: <  J&#150;            > 18 15 4A 96 80 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000280964B15B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{290} normal block at 0x00000280964B7C60, 16 bytes long.
 Data: <&#240; J&#150;            > F0 14 4A 96 80 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000280964A14F0, 320 bytes long.
 Data: <`|K&#150;    &#176; K&#150;    > 60 7C 4B 96 80 02 00 00 B0 15 4B 96 80 02 00 00 
{288} normal block at 0x00000280964B7E90, 16 bytes long.
 Data: <&#240;&#133;K&#150;            > F0 85 4B 96 80 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000280964B7A80, 16 bytes long.
 Data: <&#200;&#133;K&#150;            > C8 85 4B 96 80 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000280964B17F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{285} normal block at 0x00000280964B7990, 16 bytes long.
 Data: <&#160;&#133;K&#150;            > A0 85 4B 96 80 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000280964B1130, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{283} normal block at 0x00000280964B7760, 16 bytes long.
 Data: <&#232;&#132;K&#150;            > E8 84 4B 96 80 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000280964B7D50, 16 bytes long.
 Data: <&#192;&#132;K&#150;            > C0 84 4B 96 80 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000280964B7DA0, 16 bytes long.
 Data: < &#132;K&#150;            > 98 84 4B 96 80 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000280964B78A0, 16 bytes long.
 Data: <p&#132;K&#150;            > 70 84 4B 96 80 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000280964B7850, 16 bytes long.
 Data: <H&#132;K&#150;            > 48 84 4B 96 80 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000280964B79E0, 16 bytes long.
 Data: < &#132;K&#150;            > 20 84 4B 96 80 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000280964B8070, 16 bytes long.
 Data: <&#176;lK&#150;            > B0 6C 4B 96 80 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000280964B6CB0, 40 bytes long.
 Data: <p K&#150;    p&#252;      > 70 80 4B 96 80 02 00 00 70 FC 07 98 80 02 00 00 
{274} normal block at 0x00000280964B7670, 16 bytes long.
 Data: < &#132;K&#150;            > 00 84 4B 96 80 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000280964B80C0, 16 bytes long.
 Data: <&#216;&#131;K&#150;            > D8 83 4B 96 80 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000280964B1010, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{271} normal block at 0x00000280964B7BC0, 16 bytes long.
 Data: <&#176;&#131;K&#150;            > B0 83 4B 96 80 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000280964B83B0, 992 bytes long.
 Data: <&#192;{K&#150;      K&#150;    > C0 7B 4B 96 80 02 00 00 10 10 4B 96 80 02 00 00 
{106} normal block at 0x00000280964B10D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{105} normal block at 0x00000280964ACA60, 16 bytes long.
 Data: <PhK&#150;            > 50 68 4B 96 80 02 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x00000280964B6850, 40 bytes long.
 Data: <`&#202;J&#150;    &#208; K&#150;    > 60 CA 4A 96 80 02 00 00 D0 10 4B 96 80 02 00 00 
{83} normal block at 0x00000280964AD460, 16 bytes long.
 Data: < &#234;D&#147;&#247;           > 80 EA 44 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x00000280964AD4B0, 16 bytes long.
 Data: <@&#233;D&#147;&#247;           > 40 E9 44 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x00000280964ACA10, 16 bytes long.
 Data: <&#248;WA&#147;&#247;           > F8 57 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x00000280964AD280, 16 bytes long.
 Data: <&#216;WA&#147;&#247;           > D8 57 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x00000280964AC9C0, 16 bytes long.
 Data: <P A&#147;&#247;           > 50 04 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x00000280964AD230, 16 bytes long.
 Data: <0 A&#147;&#247;           > 30 04 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x00000280964AC970, 16 bytes long.
 Data: <&#224; A&#147;&#247;           > E0 02 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000280964AD190, 16 bytes long.
 Data: <  A&#147;&#247;           > 10 04 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000280964AC920, 16 bytes long.
 Data: <p A&#147;&#247;           > 70 04 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000280964ACFB0, 16 bytes long.
 Data: < &#192;?&#147;&#247;           > 18 C0 3F 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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