Task 38677510

Name test_372-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND5678_0
Workunit 31619379
Created 26 Oct 2026, 14:33:16 UTC
Sent 26 Oct 2026, 14:33:27 UTC
Report deadline 31 Oct 2026, 14:33:27 UTC
Received 26 Oct 2026, 17:08:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631047
Run time 2 hours 19 min 50 sec
CPU time 1 hours 37 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 14,933.54 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 753.62 MB
Peak swap size 9.22 GB
Peak disk usage 3.62 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:48:22 (17248): wrapper (7.9.26016): starting
23:48:22 (17248): 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
23:48:25 (17248): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:48:25 (17248): 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\3\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\3\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
02:06:12 (17248): C:/Windows/system32/cmd.exe exited; CPU time 5855.734375
02:06:12 (17248): 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: 107031163 bytes.
Dumping objects ->
{3835555} normal block at 0x0000020DB0324910, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835544} normal block at 0x0000020DB03244B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835533} normal block at 0x0000020DB03248A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835522} normal block at 0x0000020DB0324BB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835511} normal block at 0x0000020DB0324B40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835480} normal block at 0x0000020DB2406830, 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) : {3835467} normal block at 0x0000020DB031E730, 8 bytes long.
 Data: <   &#176;    > 00 00 8F B0 0D 02 00 00 
{3834045} normal block at 0x0000020DB031EE10, 8 bytes long.
 Data: <p&#216;0&#176;    > 70 D8 30 B0 0D 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000020DB03207A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020DB03157B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000020DB0325550, 16 bytes long.
 Data: <Xa2&#176;            > 58 61 32 B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020DB03250A0, 16 bytes long.
 Data: <0a2&#176;            > 30 61 32 B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020DB031F6B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000020DB0325960, 16 bytes long.
 Data: < a2&#176;            > 08 61 32 B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020DB0325B40, 16 bytes long.
 Data: < `2&#176;            > E0 60 32 B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020DB0325140, 16 bytes long.
 Data: <&#184;`2&#176;            > B8 60 32 B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020DB0325000, 16 bytes long.
 Data: < `2&#176;            > 90 60 32 B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020DB0324750, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000020DB0325CD0, 16 bytes long.
 Data: <&#200; 0&#176;            > C8 F3 30 B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020DB031FB90, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000020DB0324FB0, 16 bytes long.
 Data: <  0&#176;            > A0 F3 30 B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020DB03252D0, 16 bytes long.
 Data: <x 0&#176;            > 78 F3 30 B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020DB0325910, 16 bytes long.
 Data: <P 0&#176;            > 50 F3 30 B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020DB0324E70, 16 bytes long.
 Data: <( 0&#176;            > 28 F3 30 B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020DB0325460, 16 bytes long.
 Data: <  0&#176;            > 00 F3 30 B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020DB0325C80, 16 bytes long.
 Data: <&#216; 0&#176;            > D8 F2 30 B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020DB031FD10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000020DB0325AA0, 16 bytes long.
 Data: <&#176; 0&#176;            > B0 F2 30 B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020DB030F2B0, 320 bytes long.
 Data: < Z2&#176;      1&#176;    > A0 5A 32 B0 0D 02 00 00 10 FD 31 B0 0D 02 00 00 
{273} normal block at 0x0000020DB03250F0, 16 bytes long.
 Data: <p`2&#176;            > 70 60 32 B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020DB0325DC0, 16 bytes long.
 Data: <H`2&#176;            > 48 60 32 B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020DB031F8F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000020DB03258C0, 16 bytes long.
 Data: < `2&#176;            > 20 60 32 B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020DB031FAD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000020DB0324F10, 16 bytes long.
 Data: <h_2&#176;            > 68 5F 32 B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020DB0325690, 16 bytes long.
 Data: <@_2&#176;            > 40 5F 32 B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020DB0325730, 16 bytes long.
 Data: < _2&#176;            > 18 5F 32 B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020DB03255F0, 16 bytes long.
 Data: < ^2&#176;            > F0 5E 32 B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020DB0324F60, 16 bytes long.
 Data: <&#200;^2&#176;            > C8 5E 32 B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020DB0325640, 16 bytes long.
 Data: < ^2&#176;            > A0 5E 32 B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020DB0325280, 16 bytes long.
 Data: < F2&#176;            > E0 46 32 B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020DB03246E0, 40 bytes long.
 Data: < R2&#176;    0h@&#178;    > 80 52 32 B0 0D 02 00 00 30 68 40 B2 0D 02 00 00 
{259} normal block at 0x0000020DB0325D70, 16 bytes long.
 Data: < ^2&#176;            > 80 5E 32 B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020DB0325BE0, 16 bytes long.
 Data: <X^2&#176;            > 58 5E 32 B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020DB031FA10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000020DB03254B0, 16 bytes long.
 Data: <0^2&#176;            > 30 5E 32 B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020DB0325E30, 992 bytes long.
 Data: <&#176;T2&#176;      1&#176;    > B0 54 32 B0 0D 02 00 00 10 FA 31 B0 0D 02 00 00 
{91} normal block at 0x0000020DB031F590, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000020DB031DF10, 16 bytes long.
 Data: <  0&#176;            > E0 ED 30 B0 0D 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000020DB030EDE0, 40 bytes long.
 Data: < &#223;1&#176;      1&#176;    > 10 DF 31 B0 0D 02 00 00 90 F5 31 B0 0D 02 00 00 
{66} normal block at 0x0000020DB031E460, 16 bytes long.
 Data: <   `            > 80 EA 88 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020DB031EB40, 16 bytes long.
 Data: <@  `            > 40 E9 88 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020DB031E0A0, 16 bytes long.
 Data: < W `            > F8 57 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020DB031E4B0, 16 bytes long.
 Data: <&#216;W `            > D8 57 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020DB031E6E0, 16 bytes long.
 Data: <P  `            > 50 04 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020DB031E960, 16 bytes long.
 Data: <0  `            > 30 04 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020DB031E050, 16 bytes long.
 Data: <   `            > E0 02 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020DB031E410, 16 bytes long.
 Data: <   `            > 10 04 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020DB031E9B0, 16 bytes long.
 Data: <p  `            > 70 04 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020DB031E320, 16 bytes long.
 Data: < &#192; `            > 18 C0 83 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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