Task 38664212

Name test_757-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND7794_0
Workunit 31607382
Created 24 Oct 2026, 23:20:52 UTC
Sent 24 Oct 2026, 23:20:54 UTC
Report deadline 29 Oct 2026, 23:20:54 UTC
Received 25 Oct 2026, 1:45:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 593343
Run time 1 hours 6 min 58 sec
CPU time 1 hours 2 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,906.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 714.52 MB
Peak swap size 5.24 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:40:32 (67624): wrapper (7.9.26016): starting
09:40:32 (67624): 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
09:40:35 (67624): Library/usr/bin/tar.exe exited; CPU time 0.031250
09:40:35 (67624): 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 'E:\ProgramData\BOINC\slots\0\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 'E:\ProgramData\BOINC\slots\0\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
10:44:27 (67624): C:/Windows/system32/cmd.exe exited; CPU time 3729.500000
10:44:27 (67624): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 bytes in 8 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: 85934461 bytes.
Dumping objects ->
{3835605} normal block at 0x0000012D20D1BD70, 48 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835594} normal block at 0x0000012D20CF5300, 48 bytes long.
 Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835583} normal block at 0x0000012D20CF5140, 48 bytes long.
 Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835572} normal block at 0x0000012D20CF4FF0, 48 bytes long.
 Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835561} normal block at 0x0000012D20CF50D0, 48 bytes long.
 Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61 
{3835530} normal block at 0x0000012D22CA6090, 64 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835519} normal block at 0x0000012D20D4BE60, 135 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835516} normal block at 0x0000012D20CEFA20, 8 bytes long.
 Data: <  &#204; -   > 00 00 CC 20 2D 01 00 00 
{3834770} normal block at 0x0000012D20D4C5B0, 135 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834037} normal block at 0x0000012D20CEF700, 8 bytes long.
 Data: < F&#208;"-   > F0 46 D0 22 2D 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000012D20CEE350, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000012D20CE6D10, 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 0x0000012D20CF5A80, 16 bytes long.
 Data: < m&#207; -           > 18 6D CF 20 2D 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000012D20CF62A0, 16 bytes long.
 Data: < l&#207; -           > F0 6C CF 20 2D 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000012D20CF4980, 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 0x0000012D20CF62F0, 16 bytes long.
 Data: <&#200;l&#207; -           > C8 6C CF 20 2D 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000012D20CF6070, 16 bytes long.
 Data: < l&#207; -           > A0 6C CF 20 2D 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000012D20CF5BC0, 16 bytes long.
 Data: <xl&#207; -           > 78 6C CF 20 2D 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000012D20CF5F80, 16 bytes long.
 Data: <Pl&#207; -           > 50 6C CF 20 2D 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000012D20CF4C70, 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 0x0000012D20CF6160, 16 bytes long.
 Data: <&#184; &#206; -           > B8 93 CE 20 2D 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000012D20CF4020, 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 0x0000012D20CF5A30, 16 bytes long.
 Data: <  &#206; -           > 90 93 CE 20 2D 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000012D20CF6020, 16 bytes long.
 Data: <h &#206; -           > 68 93 CE 20 2D 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000012D20CF6200, 16 bytes long.
 Data: <@ &#206; -           > 40 93 CE 20 2D 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000012D20CF5F30, 16 bytes long.
 Data: <  &#206; -           > 18 93 CE 20 2D 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000012D20CF6430, 16 bytes long.
 Data: <  &#206; -           > F0 92 CE 20 2D 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000012D20CF5DF0, 16 bytes long.
 Data: <&#200; &#206; -           > C8 92 CE 20 2D 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000012D20CF3FC0, 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 0x0000012D20CF6480, 16 bytes long.
 Data: <  &#206; -           > A0 92 CE 20 2D 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000012D20CE92A0, 320 bytes long.
 Data: < d&#207; -   &#192;?&#207; -   > 80 64 CF 20 2D 01 00 00 C0 3F CF 20 2D 01 00 00 
{271} normal block at 0x0000012D20CF6980, 16 bytes long.
 Data: <0l&#207; -           > 30 6C CF 20 2D 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000012D20CF5B20, 16 bytes long.
 Data: < l&#207; -           > 08 6C CF 20 2D 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000012D20CF4860, 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 0x0000012D20CF5CB0, 16 bytes long.
 Data: < k&#207; -           > E0 6B CF 20 2D 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000012D20CF4380, 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 0x0000012D20CF5EE0, 16 bytes long.
 Data: <(k&#207; -           > 28 6B CF 20 2D 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000012D20CF61B0, 16 bytes long.
 Data: < k&#207; -           > 00 6B CF 20 2D 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000012D20CF5E90, 16 bytes long.
 Data: <&#216;j&#207; -           > D8 6A CF 20 2D 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000012D20CF6570, 16 bytes long.
 Data: <&#176;j&#207; -           > B0 6A CF 20 2D 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000012D20CF63E0, 16 bytes long.
 Data: < j&#207; -           > 88 6A CF 20 2D 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000012D20CF6110, 16 bytes long.
 Data: <`j&#207; -           > 60 6A CF 20 2D 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000012D20CF6750, 16 bytes long.
 Data: <0N&#207; -           > 30 4E CF 20 2D 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000012D20CF4E30, 40 bytes long.
 Data: <Pg&#207; -    `&#202;"-   > 50 67 CF 20 2D 01 00 00 90 60 CA 22 2D 01 00 00 
{257} normal block at 0x0000012D20CF6340, 16 bytes long.
 Data: <@j&#207; -           > 40 6A CF 20 2D 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000012D20CF60C0, 16 bytes long.
 Data: < j&#207; -           > 18 6A CF 20 2D 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000012D20CF3D80, 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 0x0000012D20CF5D50, 16 bytes long.
 Data: < i&#207; -           > F0 69 CF 20 2D 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000012D20CF69F0, 992 bytes long.
 Data: <P]&#207; -    =&#207; -   > 50 5D CF 20 2D 01 00 00 80 3D CF 20 2D 01 00 00 
{89} normal block at 0x0000012D20CF4560, 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 0x0000012D20CEF7A0, 16 bytes long.
 Data: <  &#205; -           > 80 F0 CD 20 2D 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000012D20CDF080, 40 bytes long.
 Data: <  &#206; -   `E&#207; -   > A0 F7 CE 20 2D 01 00 00 60 45 CF 20 2D 01 00 00 
{64} normal block at 0x0000012D20CEF660, 16 bytes long.
 Data: <   &#214;            > 80 EA 9D D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000012D20CEFC00, 16 bytes long.
 Data: <@  &#214;            > 40 E9 9D D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000012D20CEED50, 16 bytes long.
 Data: < W &#214;            > F8 57 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000012D20CEEF80, 16 bytes long.
 Data: <&#216;W &#214;            > D8 57 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000012D20CEEE40, 16 bytes long.
 Data: <P  &#214;            > 50 04 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000012D20CEFBB0, 16 bytes long.
 Data: <0  &#214;            > 30 04 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000012D20CEF610, 16 bytes long.
 Data: <   &#214;            > E0 02 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000012D20CEEDF0, 16 bytes long.
 Data: <   &#214;            > 10 04 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000012D20CEF890, 16 bytes long.
 Data: <p  &#214;            > 70 04 9A D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000012D20CEFB60, 16 bytes long.
 Data: < &#192; &#214;            > 18 C0 98 D6 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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