Task 38698454

Name test_547-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND6698_0
Workunit 31638974
Created 2 Nov 2026, 14:47:43 UTC
Sent 2 Nov 2026, 14:47:44 UTC
Report deadline 7 Nov 2026, 14:47:44 UTC
Received 2 Nov 2026, 15:26:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 592673
Run time 35 min 56 sec
CPU time 29 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,993.64 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 713.36 MB
Peak swap size 6.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
15:52:03 (26956): wrapper (7.9.26016): starting
15:52:03 (26956): 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
15:52:09 (26956): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:52:09 (26956): 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\17\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\17\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
16:24:58 (26956): C:/Windows/system32/cmd.exe exited; CPU time 1779.453125
16:24:58 (26956): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 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: 25060353 bytes.
Dumping objects ->
{3835327} normal block at 0x000001998ECE49F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835316} normal block at 0x000001998ECE5010, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835305} normal block at 0x000001998ECE4600, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835294} normal block at 0x000001998ECE47C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835283} normal block at 0x000001998ECE4750, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835252} normal block at 0x0000019990994AB0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835241} normal block at 0x000001998ECB9170, 200 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) : {3835238} normal block at 0x000001998ECC0270, 8 bytes long.
 Data: <  o     > 00 00 6F 90 99 01 00 00 
{3834587} normal block at 0x000001998ECB8F50, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x000001998ECBFFF0, 8 bytes long.
 Data: <&#176; &#206;&#142;    > B0 83 CE 8E 99 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001998ECC0940, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001998ECA5D50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x000001998ECB64B0, 16 bytes long.
 Data: <&#216; &#204;&#142;            > D8 1F CC 8E 99 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001998ECB6410, 16 bytes long.
 Data: <&#176; &#204;&#142;            > B0 1F CC 8E 99 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001998ECBC590, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x000001998ECB62D0, 16 bytes long.
 Data: <  &#204;&#142;            > 88 1F CC 8E 99 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001998ECB5FB0, 16 bytes long.
 Data: <` &#204;&#142;            > 60 1F CC 8E 99 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001998ECB6280, 16 bytes long.
 Data: <8 &#204;&#142;            > 38 1F CC 8E 99 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001998ECB6230, 16 bytes long.
 Data: <  &#204;&#142;            > 10 1F CC 8E 99 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001998ECBB120, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x000001998ECB6460, 16 bytes long.
 Data: <&#232;\&#202;&#142;            > E8 5C CA 8E 99 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001998ECBC3B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x000001998ECB5E70, 16 bytes long.
 Data: <&#192;\&#202;&#142;            > C0 5C CA 8E 99 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001998ECB5E20, 16 bytes long.
 Data: < \&#202;&#142;            > 98 5C CA 8E 99 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001998ECB61E0, 16 bytes long.
 Data: <p\&#202;&#142;            > 70 5C CA 8E 99 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001998ECB5F60, 16 bytes long.
 Data: <H\&#202;&#142;            > 48 5C CA 8E 99 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001998ECC0220, 16 bytes long.
 Data: < \&#202;&#142;            > 20 5C CA 8E 99 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001998ECC01D0, 16 bytes long.
 Data: <&#248;[&#202;&#142;            > F8 5B CA 8E 99 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001998ECBCF50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x000001998ECBFFA0, 16 bytes long.
 Data: <&#208;[&#202;&#142;            > D0 5B CA 8E 99 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001998ECA5BD0, 320 bytes long.
 Data: <&#160; &#203;&#142;    P&#207;&#203;&#142;    > A0 FF CB 8E 99 01 00 00 50 CF CB 8E 99 01 00 00 
{269} normal block at 0x000001998ECC0630, 16 bytes long.
 Data: <&#240; &#204;&#142;            > F0 1E CC 8E 99 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001998ECBFF50, 16 bytes long.
 Data: <&#200; &#204;&#142;            > C8 1E CC 8E 99 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001998ECBCAD0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x000001998ECC0180, 16 bytes long.
 Data: <&#160; &#204;&#142;            > A0 1E CC 8E 99 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001998ECBC170, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x000001998ECC0590, 16 bytes long.
 Data: <&#232; &#204;&#142;            > E8 1D CC 8E 99 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001998ECC0540, 16 bytes long.
 Data: <&#192; &#204;&#142;            > C0 1D CC 8E 99 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001998ECC04A0, 16 bytes long.
 Data: <  &#204;&#142;            > 98 1D CC 8E 99 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001998ECC05E0, 16 bytes long.
 Data: <p &#204;&#142;            > 70 1D CC 8E 99 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001998ECC0450, 16 bytes long.
 Data: <H &#204;&#142;            > 48 1D CC 8E 99 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001998ECC0130, 16 bytes long.
 Data: <  &#204;&#142;            > 20 1D CC 8E 99 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001998ECC0310, 16 bytes long.
 Data: < &#174;&#203;&#142;            > 80 AE CB 8E 99 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001998ECBAE80, 40 bytes long.
 Data: <  &#204;&#142;    &#176;J      > 10 03 CC 8E 99 01 00 00 B0 4A 99 90 99 01 00 00 
{255} normal block at 0x000001998ECC02C0, 16 bytes long.
 Data: <  &#204;&#142;            > 00 1D CC 8E 99 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001998ECC00E0, 16 bytes long.
 Data: <&#216; &#204;&#142;            > D8 1C CC 8E 99 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001998ECBCE30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x000001998ECC03B0, 16 bytes long.
 Data: <&#176; &#204;&#142;            > B0 1C CC 8E 99 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001998ECC1CB0, 992 bytes long.
 Data: <&#176; &#204;&#142;    0&#206;&#203;&#142;    > B0 03 CC 8E 99 01 00 00 30 CE CB 8E 99 01 00 00 
{87} normal block at 0x000001998ECBCE90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x000001998ECB6640, 16 bytes long.
 Data: <&#240;&#174;&#203;&#142;            > F0 AE CB 8E 99 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001998ECBAEF0, 40 bytes long.
 Data: <@f&#203;&#142;     &#206;&#203;&#142;    > 40 66 CB 8E 99 01 00 00 90 CE CB 8E 99 01 00 00 
{64} normal block at 0x000001998ECB67D0, 16 bytes long.
 Data: < &#234;&#201;&#223;&#247;           > 80 EA C9 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001998ECB6050, 16 bytes long.
 Data: <@&#233;&#201;&#223;&#247;           > 40 E9 C9 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001998ECB6780, 16 bytes long.
 Data: <&#248;W&#198;&#223;&#247;           > F8 57 C6 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001998ECB5CE0, 16 bytes long.
 Data: <&#216;W&#198;&#223;&#247;           > D8 57 C6 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001998ECB65F0, 16 bytes long.
 Data: <P &#198;&#223;&#247;           > 50 04 C6 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001998ECB5D30, 16 bytes long.
 Data: <0 &#198;&#223;&#247;           > 30 04 C6 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001998ECB60F0, 16 bytes long.
 Data: <&#224; &#198;&#223;&#247;           > E0 02 C6 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001998ECB6A00, 16 bytes long.
 Data: <  &#198;&#223;&#247;           > 10 04 C6 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001998ECB6550, 16 bytes long.
 Data: <p &#198;&#223;&#247;           > 70 04 C6 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001998ECB6730, 16 bytes long.
 Data: < &#192;&#196;&#223;&#247;           > 18 C0 C4 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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